Datasets:
uuid stringlengths 36 36 | id stringlengths 5 51 | name stringlengths 6 68 | description stringlengths 43 3.53k | tools stringclasses 47
values | scoring_function stringclasses 40
values | submission_format stringclasses 61
values | environment stringclasses 9
values | level stringclasses 4
values | type stringclasses 2
values | source_file stringlengths 46 67 | full_json stringlengths 350 10.3k |
|---|---|---|---|---|---|---|---|---|---|---|---|
9d15a614-9443-4d39-ba49-220875c6a4ea | parameter_set_subtask_level_1 | Set PID gain and scanning parameters. | Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128). | ["Document_Retrieval", "Code_Executor"] | check_params_function | string | afm | level_1 | subtask | afm/environments/level_1/subtasks_json/task_1.json | {"name": "Set PID gain and scanning parameters.", "description": "Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128).", "tools": ["Document_Retrieval", "Code_Executor"], "scoring_function": "check_params_function", "scoring_params": {"fin... |
ca5a90f1-2bfc-4ff6-af6a-9580d53e65a9 | image_capture_1_subtask_level_1 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 10x10 Β΅mΒ². Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_1 | subtask | afm/environments/level_1/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 10x10 \u00b5m\u00b2. Return its absolute path.", "tools": ["Document_Retrieval", "Code_Executor"], "scoring_function": "check_file_exists", "scoring_params": {"final_params": {"image_height": 10000, "image_... |
bf6afbcf-6f0b-4e8a-9732-1ba27a60f8a7 | image_capture_2_subtask_level_1 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 10x10 Β΅mΒ². Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_1 | subtask | afm/environments/level_1/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 10x10 \u00b5m\u00b2. Return its absolute path.", "tools": ["Document_Retrieval", "Code_Executor"], "scoring_function": "check_file_exists", "scoring_params": {"final_params": {"image_height": 10000, "image_... |
41460c36-a730-423e-bc42-0a2ef265c587 | image_capture_3_subtask_level_1 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 10x10 Β΅mΒ². Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_1 | subtask | afm/environments/level_1/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 10x10 \u00b5m\u00b2. Return its absolute path.", "tools": ["Document_Retrieval", "Code_Executor"], "scoring_function": "check_file_exists", "scoring_params": {"final_params": {"image_height": 10000, "image_... |
44c67333-eea9-4ad8-9496-766832dd9160 | roughness_1_subtask_level_1 | Roughness calculation for 10x10 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_1 | subtask | afm/environments/level_1/subtasks_json/task_1.json | {"name": "Roughness calculation for 10x10 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
20beebcc-39ec-4204-a4cd-d1d7a5c74111 | roughness_2_subtask_level_1 | Roughness calculation for 10x10 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_1 | subtask | afm/environments/level_1/subtasks_json/task_1.json | {"name": "Roughness calculation for 10x10 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
8c85e0ef-cd18-4f02-aecd-303e9f2751ce | roughness_3_subtask_level_1 | Roughness calculation for 10x10 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_1 | subtask | afm/environments/level_1/subtasks_json/task_1.json | {"name": "Roughness calculation for 10x10 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
cd0dcad0-c659-4cdb-aa92-4b074602ee47 | afm_experiment_level_1 | AFM experiment level 1 | Perform three sequential high-quality scans of the same 10x10 Β΅mΒ² area using identical scanning parameters (P gain: 100, I gain: 6000, D gain: 10, Time per line: 0.1 s, Lines per frame: 32), and calculate the root-mean-square (RMS) surface roughness for each scan. | ["Document_Retrieval", "Image_optimizer", "Code_Executor", "Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image1", "rms_roughness_2": "38.55", "path_2": "/path/to/image2", "rms_roughness_3": "40.12", "path_3": "/path/to/image3"} | afm | level_1 | task | afm/environments/level_1/tasks_json/task_1.json | {"name": "AFM experiment level 1", "description": "Perform three sequential high-quality scans of the same 10x10 \u00b5m\u00b2 area using identical scanning parameters (P gain: 100, I gain: 6000, D gain: 10, Time per line: 0.1 s, Lines per frame: 32), and calculate the root-mean-square (RMS) surface roughness for each ... |
aeb28a11-6592-4c75-9ded-94a75fbee143 | parameter_set_subtask_level_2 | Set PID gain and scanning parameters. | Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128) for a scanning mode that minimizes tip damage. | ["Document_Retrieval", "Code_Executor"] | check_params_function | string | afm | level_2 | subtask | afm/environments/level_2/subtasks_json/task_1.json | {"name": "Set PID gain and scanning parameters.", "description": "Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128) for a scanning mode that minimizes tip damage.", "tools": ["Document_Retrieval", "Code_Executor"], "scoring_function": "c... |
fbc27b28-1431-4454-b682-2a8204689a59 | image_capture_1_subtask_level_2 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 10x10 Β΅mΒ² using scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that the scan is completed within 51.2 s, and use a scanning mode that minimizes tip damage. Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_2 | subtask | afm/environments/level_2/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 10x10 \u00b5m\u00b2 using scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that the scan is completed within 51.2 s, and use a scanning mode that minimizes tip da... |
be4429f3-9b33-410d-b3be-913b5ffb0b08 | image_capture_2_subtask_level_2 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 10x10 Β΅mΒ² using scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that the scan is completed within 51.2 s, and use a scanning mode that minimizes tip damage. Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_2 | subtask | afm/environments/level_2/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 10x10 \u00b5m\u00b2 using scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that the scan is completed within 51.2 s, and use a scanning mode that minimizes tip da... |
312defbd-bbc4-4b46-a479-70fad0276070 | image_capture_3_subtask_level_2 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 10x10 Β΅mΒ² using scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that the scan is completed within 51.2 s, and use a scanning mode that minimizes tip damage. Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_2 | subtask | afm/environments/level_2/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 10x10 \u00b5m\u00b2 using scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that the scan is completed within 51.2 s, and use a scanning mode that minimizes tip da... |
6ef063b7-9697-4663-b65e-212a2f792666 | roughness_1_subtask_level_2 | Roughness calculation for 10x10 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_2 | subtask | afm/environments/level_2/subtasks_json/task_1.json | {"name": "Roughness calculation for 10x10 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
f3edef79-d28b-4636-be37-6bbfde89358f | roughness_2_subtask_level_2 | Roughness calculation for 10x10 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_2 | subtask | afm/environments/level_2/subtasks_json/task_1.json | {"name": "Roughness calculation for 10x10 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
457e3dd8-2636-4d30-882e-bbaf5b0f427d | roughness_3_subtask_level_2 | Roughness calculation for 10x10 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_2 | subtask | afm/environments/level_2/subtasks_json/task_1.json | {"name": "Roughness calculation for 10x10 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
009fd63f-e379-4e25-8a10-c56c55c9e3c0 | afm_experiment_level_2 | AFM experiment level 2 | Perform three sequential high-quality scans of the same 10x10 Β΅mΒ² area using identical scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that all three scans are completed within 2 min 34 s, and use a scanning mode that minimizes tip damage. For each scan, collect the topograp... | ["Document_Retrieval", "Image_optimizer", "Code_Executor", "Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image1", "rms_roughness_2": "38.55", "path_2": "/path/to/image2", "rms_roughness_3": "40.12", "path_3": "/path/to/image3"} | afm | level_2 | task | afm/environments/level_2/tasks_json/task_1.json | {"name": "AFM experiment level 2", "description": "Perform three sequential high-quality scans of the same 10x10 \u00b5m\u00b2 area using identical scanning parameters (points per line: 128, lines per frame: 128). Set the time per line such that all three scans are completed within 2 min 34 s, and use a scanning mode t... |
163db8de-eda9-438a-9ff6-12745d9a07ac | parameter_set_subtask_level_3 | Set PID gain and scanning parameters. | Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128) for a scanning mode that minimizes tip damage. | ["Document_Retrieval", "Code_Executor"] | check_params_function | string | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "Set PID gain and scanning parameters.", "description": "Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128) for a scanning mode that minimizes tip damage.", "tools": ["Document_Retrieval", "Code_Executor"], "scoring_function": "c... |
1582336d-18f3-48c5-bab1-ff51d337e6b9 | image_capture_1_subtask_level_3 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 10x10 Β΅mΒ² using scanning parameters (points per line: 128, lines per frame: 128). Use a scanning mode that minimizes tip damage. Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 10x10 \u00b5m\u00b2 using scanning parameters (points per line: 128, lines per frame: 128). Use a scanning mode that minimizes tip damage. Return its absolute path.", "tools": ["Document_Retrieval", "Code_E... |
ca9de839-316a-4d5e-8016-0c7fb2dbc02f | image_capture_2_subtask_level_3 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 20x20 Β΅mΒ² using scanning parameters (points per line: 128, lines per frame: 128). Use a scanning mode that minimizes tip damage. Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 20x20 \u00b5m\u00b2 using scanning parameters (points per line: 128, lines per frame: 128). Use a scanning mode that minimizes tip damage. Return its absolute path.", "tools": ["Document_Retrieval", "Code_E... |
ef1930e0-456f-4c45-982d-00407bcf147e | image_capture_3_subtask_level_3 | Image capture of size 10x10 Β΅mΒ². | Take a topographic surface scan of an area 30x30 Β΅mΒ² using scanning parameters (points per line: 128, lines per frame: 128). Use a scanning mode that minimizes tip damage. Return its absolute path. | ["Document_Retrieval", "Code_Executor"] | check_file_exists | absolute path to image (eg. /results/afm_images/sample/nid) | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "Image capture of size 10x10 \u00b5m\u00b2.", "description": "Take a topographic surface scan of an area 30x30 \u00b5m\u00b2 using scanning parameters (points per line: 128, lines per frame: 128). Use a scanning mode that minimizes tip damage. Return its absolute path.", "tools": ["Document_Retrieval", "Code_E... |
dde747c9-9c9f-4bcd-921a-87500e9ad483 | roughness_1_subtask_level_3 | Roughness calculation for 10x10 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "Roughness calculation for 10x10 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
624067be-ee27-4ef8-89b4-1f34e00461ef | roughness_2_subtask_level_3 | Roughness calculation for 20x20 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "Roughness calculation for 20x20 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
15dd0eaa-a9d9-4d5d-923d-2a9007d2baca | roughness_3_subtask_level_3 | Roughness calculation for 30x30 Β΅mΒ² image present at the given path. | Calculate the root-mean-square (RMS) roughness of the image at the given path. | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "Roughness calculation for 30x30 \u00b5m\u00b2 image present at the given path.", "description": "Calculate the root-mean-square (RMS) roughness of the image at the given path.", "tools": ["Image_Analyzer"], "scoring_function": "check_roughness_function", "scoring_params": {"tolerance": 0.1, "final_params": {}... |
149fea1c-1dea-4bde-95d6-ce512188735f | roughness_relationship_level_3 | scale-dependent roughness relationship between Rq and scan area (A). | Given experimental data relating the RMS roughness (Rb) to the sample area (A), find a possible mathematical relationship between them. | ["Image_Analyzer"] | check_mathematical_eq | {"equation": "<Valid mathematical equation in the exact format: 'Rb = expression_in_A'. Use valid Python math syntax (** for powers, * for multiplication, and math. for functions like math.log, math.exp, etc.)>","Rb": [1, 4, 6,...],"A": [2, 6, 7,...]} e.g. {"equation": "Rb = 5 * math.log(A)","Rb": [1, 4, 6],"A": [2, 6,... | afm | level_3 | subtask | afm/environments/level_3/subtasks_json/task_1.json | {"name": "scale-dependent roughness relationship between Rq and scan area (A).", "description": "Given experimental data relating the RMS roughness (Rb) to the sample area (A), find a possible mathematical relationship between them.", "tools": ["Image_Analyzer"], "scoring_function": "check_mathematical_eq", "scoring_pa... |
d00da041-3258-44dc-9175-a9d25131cb66 | afm_experiment_level_3 | AFM experiment level 3 | Take topographic surface scans of the same sample using a mode that minimizes tip damage. For each scan, calculate the RMS surface roughness (Rq). Determine the scale-dependent roughness relationship between Rq and scan area (A) from the collected data. | ["Document_Retrieval", "Code_Executor", "Image_Analyzer"] | check_mathematical_eq | {"equation": "<Valid mathematical equation in the exact format: 'Rb = expression_in_A'. Use valid Python math syntax (** for powers, * for multiplication, and math. for functions like math.log, math.exp, etc.)>","Rb": [1, 4, 6,...],"A": [2, 6, 7,...]} e.g. {"equation": "Rb = 5 * math.log(A)","Rb": [1, 4, 6],"A": [2, 6,... | afm | level_3 | task | afm/environments/level_3/tasks_json/task_1.json | {"name": "AFM experiment level 3", "description": "Take topographic surface scans of the same sample using a mode that minimizes tip damage. For each scan, calculate the RMS surface roughness (Rq). Determine the scale-dependent roughness relationship between Rq and scan area (A) from the collected data.", "tools": ["Do... |
24185fc5-3bd5-46c0-b47d-fa4230a5933a | parameter_set_subtask_level_4 | Set PID gain and scanning parameters. | Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128) for a scanning mode that minimizes tip damage. | ["Document_Retrieval", "Code_Executor"] | check_params_function | string | afm | level_4 | subtask | afm/environments/level_4/subtasks_json/task_1.json | {"name": "Set PID gain and scanning parameters.", "description": "Set the PID gains (P gain: 100, I gain: 6000, D gain: 10) and other scanning parameters (Time per Line: 0.1 s, Lines per Frame: 128) for a scanning mode that minimizes tip damage.", "tools": ["Document_Retrieval", "Code_Executor"], "scoring_function": "c... |
0f1a5c0d-da47-42bb-8fc2-0fda142ed774 | roughness_subtask_level_4 | Roughness calculation for images present at the given path. | Conduct AFM topographic scans on the sample across multiple scan areas (A) to acquire high-resolution surface height data. Process the acquired AFM data to calculate the corresponding surface roughness values (Rq) for each scan area (A). | ["Image_Analyzer"] | check_roughness_function | {"rms_roughness_1": "<numerical_value without units>", "path_1": "<absolute_path>"} e.g. {"rms_roughness_1": "42.78", "path_1": "/path/to/image_1"} | afm | level_4 | subtask | afm/environments/level_4/subtasks_json/task_1.json | {"name": "Roughness calculation for images present at the given path.", "description": "Conduct AFM topographic scans on the sample across multiple scan areas (A) to acquire high-resolution surface height data. Process the acquired AFM data to calculate the corresponding surface roughness values (Rq) for each scan area... |
d8667cab-b38b-4140-82ee-b8a5d2b85678 | roughness_relationship_level_4 | scale-dependent roughness relationship between Rq and scan area (A). | Given experimental data relating the RMS roughness (Rb) to the sample area (A), find a possible mathematical relationship between them. | ["Image_Analyzer"] | check_mathematical_eq | {"equation": "<Valid mathematical equation in the exact format: 'Rb = expression_in_A'. Use valid Python math syntax (** for powers, * for multiplication, and math. for functions like math.log, math.exp, etc.)>","Rb": [1, 4, 6,...],"A": [2, 6, 7,...]} e.g. {"equation": "Rb = 5 * math.log(A)","Rb": [1, 4, 6],"A": [2, 6,... | afm | level_4 | subtask | afm/environments/level_4/subtasks_json/task_1.json | {"name": "scale-dependent roughness relationship between Rq and scan area (A).", "description": "Given experimental data relating the RMS roughness (Rb) to the sample area (A), find a possible mathematical relationship between them.", "tools": ["Image_Analyzer"], "scoring_function": "check_mathematical_eq", "scoring_pa... |
3c48a569-4869-4367-8943-058e16fb3370 | afm_experiment_level_4 | AFM experiment level 4 | Using AFM, determine the scale-dependent relationship between surface roughness (Rq) and scan area (A) by conducting topographic experiments on the sample in a scanning mode that minimizes tip damage. | ["Document_Retrieval", "Code_Executor", "Image_Analyzer"] | check_mathematical_eq | {"equation": "<Valid mathematical equation in the exact format: 'Rb = expression_in_A'. Use valid Python math syntax (** for powers, * for multiplication, and math. for functions like math.log, math.exp, etc.)>","Rb": [1, 4, 6,...],"A": [2, 6, 7,...]} e.g. {"equation": "Rb = 5 * math.log(A)","Rb": [1, 4, 6],"A": [2, 6,... | afm | level_4 | task | afm/environments/level_4/tasks_json/task_1.json | {"name": "AFM experiment level 4", "description": "Using AFM, determine the scale-dependent relationship between surface roughness (Rq) and scan area (A) by conducting topographic experiments on the sample in a scanning mode that minimizes tip damage.", "tools": ["Document_Retrieval", "Code_Executor", "Image_Analyzer"]... |
14e366e1-708f-4cae-90b4-adc5020184f9 | task_1_retrieve_structure | Retrieve Bulk Structure | Retrieve structure of Si from Materials Project and save it as a CIF file. Submit the path to the CIF file. | ["get_structure_from_mp_text"] | mp_structure | path to cif file (eg. bulk_structure.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_1.json | {"name": "Retrieve Bulk Structure", "description": "Retrieve structure of Si from Materials Project and save it as a CIF file. Submit the path to the CIF file.", "tools": ["get_structure_from_mp_text"], "scoring_function": "mp_structure", "submission_format": "path to cif file (eg. bulk_structure.cif)", "initial_input"... |
2c470e2c-422c-44ce-86fa-15c2b2167bb0 | task_1_enumerate_slabs | Enumerate Possible Slabs | Enumerate possible slabs from the bulk Si structure and save the result as a JSON file. Submit the path to the JSON file. | ["enumerate_slabs_text"] | slabs_json | path to json file (eg. slabs.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_1.json | {"name": "Enumerate Possible Slabs", "description": "Enumerate possible slabs from the bulk Si structure and save the result as a JSON file. Submit the path to the JSON file.", "tools": ["enumerate_slabs_text"], "scoring_function": "slabs_json", "submission_format": "path to json file (eg. slabs.json)", "input_from_tas... |
2e51e09e-51a1-4f38-8631-76236cf2cfa0 | task_1_choose_slab | Choose Slab | Choose one slab from the enumerated slabs (by index) and save it as a CIF file. Submit the path to the CIF file. | ["choose_slab_text"] | slab_structure | path to cif file (eg. chosen_slab.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_1.json | {"name": "Choose Slab", "description": "Choose one slab from the enumerated slabs (by index) and save it as a CIF file. Submit the path to the CIF file.", "tools": ["choose_slab_text"], "scoring_function": "slab_structure", "submission_format": "path to cif file (eg. chosen_slab.cif)", "input_from_tasks": ["task_1_enum... |
d887fadf-9127-4ac0-9888-5a06c80f1d57 | task_1_create_molecule | Create CO2 Molecule | Retrieve CO2 molecule structure from Materials Project and save it as a CIF file. Submit the path to the CIF file. | ["get_structure_from_mp_text"] | mp_structure | path to cif file (eg. co2.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_1.json | {"name": "Create CO2 Molecule", "description": "Retrieve CO2 molecule structure from Materials Project and save it as a CIF file. Submit the path to the CIF file.", "tools": ["get_structure_from_mp_text"], "scoring_function": "mp_structure", "submission_format": "path to cif file (eg. co2.cif)", "initial_input": {"mp_i... |
ec350e71-cca3-42a5-8da9-6f52ae1fef91 | task_1_get_adsorption_sites | Identify Adsorption Sites | Determine possible adsorption sites on the chosen slab and save the results as a JSON file. Submit the path to the JSON file. | ["get_adsorption_sites_text"] | adsorption_sites | path to json file (eg. adsorption_sites.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_1.json | {"name": "Identify Adsorption Sites", "description": "Determine possible adsorption sites on the chosen slab and save the results as a JSON file. Submit the path to the JSON file.", "tools": ["get_adsorption_sites_text"], "scoring_function": "adsorption_sites", "submission_format": "path to json file (eg. adsorption_si... |
ceef1b29-a7b0-4e70-89a9-b38070d1a1ef | task_1_choose_adsorption_site | Choose Adsorption Site | Choose one adsorption site (preferably ontop site) from the identified sites and save the coordinates to a file. Submit the path to the file. | ["choose_adsorption_site_text"] | file_exists | path to json file (eg. chosen_site.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_1.json | {"name": "Choose Adsorption Site", "description": "Choose one adsorption site (preferably ontop site) from the identified sites and save the coordinates to a file. Submit the path to the file.", "tools": ["choose_adsorption_site_text"], "scoring_function": "file_exists", "submission_format": "path to json file (eg. cho... |
4a9280f9-92c5-438c-a937-e49a3ea74eb1 | task_1_add_adsorbate | Add CO2 to Silicon Slab | Place the CO2 molecule on the chosen slab at the specified adsorption site with a height of approximately 2.0 Angstrom and save the combined structure as a CIF file. Submit the path to the CIF file. | ["add_adsorbate_to_slab_text"] | adsorption_structure | path to cif file (eg. slab_with_co2.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_1.json | {"name": "Add CO2 to Silicon Slab", "description": "Place the CO2 molecule on the chosen slab at the specified adsorption site with a height of approximately 2.0 Angstrom and save the combined structure as a CIF file. Submit the path to the CIF file.", "tools": ["add_adsorbate_to_slab_text"], "scoring_function": "adsor... |
7915a910-5bb5-48b1-b9ab-a28cfcd4e888 | task_2_retrieve_structure | Retrieve Bulk Structure | Retrieve structure of TiO2 from Materials Project and save it as a CIF file. Submit the path to the CIF file. | ["get_structure_from_mp_text"] | mp_structure | path to cif file (eg. bulk_structure.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_2.json | {"name": "Retrieve Bulk Structure", "description": "Retrieve structure of TiO2 from Materials Project and save it as a CIF file. Submit the path to the CIF file.", "tools": ["get_structure_from_mp_text"], "scoring_function": "mp_structure", "submission_format": "path to cif file (eg. bulk_structure.cif)", "initial_inpu... |
ecc8a599-c88a-4ad6-9ebd-cfbaab04ae06 | task_2_enumerate_slabs | Enumerate Possible Slabs | Enumerate possible slabs from the bulk TiO2 structure and save the result as a JSON file. Submit the path to the JSON file. | ["enumerate_slabs_text"] | slabs_json | path to json file (eg. slabs.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_2.json | {"name": "Enumerate Possible Slabs", "description": "Enumerate possible slabs from the bulk TiO2 structure and save the result as a JSON file. Submit the path to the JSON file.", "tools": ["enumerate_slabs_text"], "scoring_function": "slabs_json", "submission_format": "path to json file (eg. slabs.json)", "input_from_t... |
6fe24ab5-f718-4434-8c63-aa35b2ed73c8 | task_2_choose_slab | Choose Slab | Choose one slab from the enumerated slabs (by index) and save it as a CIF file. Submit the path to the CIF file. | ["choose_slab_text"] | slab_structure | path to cif file (eg. chosen_slab.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_2.json | {"name": "Choose Slab", "description": "Choose one slab from the enumerated slabs (by index) and save it as a CIF file. Submit the path to the CIF file.", "tools": ["choose_slab_text"], "scoring_function": "slab_structure", "submission_format": "path to cif file (eg. chosen_slab.cif)", "input_from_tasks": ["task_2_enum... |
65230291-0bf7-4f70-89e3-409247f2920e | task_2_create_molecule | Create CO2 Molecule | Retrieve CO2 molecule structure from Materials Project and save it as a CIF file. Submit the path to the CIF file. | ["get_structure_from_mp_text"] | mp_structure | path to cif file (eg. co2.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_2.json | {"name": "Create CO2 Molecule", "description": "Retrieve CO2 molecule structure from Materials Project and save it as a CIF file. Submit the path to the CIF file.", "tools": ["get_structure_from_mp_text"], "scoring_function": "mp_structure", "submission_format": "path to cif file (eg. co2.cif)", "initial_input": {"mp_i... |
a91058f5-c06c-4e30-a4e8-57e2653c67c4 | task_2_get_adsorption_sites | Identify Adsorption Sites | Determine possible adsorption sites on the chosen slab and save the results as a JSON file. Submit the path to the JSON file. | ["get_adsorption_sites_text"] | adsorption_sites | path to json file (eg. adsorption_sites.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_2.json | {"name": "Identify Adsorption Sites", "description": "Determine possible adsorption sites on the chosen slab and save the results as a JSON file. Submit the path to the JSON file.", "tools": ["get_adsorption_sites_text"], "scoring_function": "adsorption_sites", "submission_format": "path to json file (eg. adsorption_si... |
a58c018d-2306-45d8-aa5f-bbc0ca5f3853 | task_2_choose_adsorption_site | Choose Adsorption Site | Choose one adsorption site (preferably a ontop site) from the identified sites and save the coordinates to a file. Submit the path to the file. | ["choose_adsorption_site_text"] | file_exists | path to json file (eg. chosen_site.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_2.json | {"name": "Choose Adsorption Site", "description": "Choose one adsorption site (preferably a ontop site) from the identified sites and save the coordinates to a file. Submit the path to the file.", "tools": ["choose_adsorption_site_text"], "scoring_function": "file_exists", "submission_format": "path to json file (eg. c... |
5a261e6b-6e6a-4287-aec6-5c2a31c543db | task_2_add_adsorbate | Add CO2 to Silicon Slab | Place the CO2 molecule on the chosen slab at the specified adsorption site with a height of approximately 2.0 Angstrom and save the combined structure as a CIF file. Submit the path to the CIF file. | ["add_adsorbate_to_slab_text"] | adsorption_structure | path to cif file (eg. slab_with_co2.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_2.json | {"name": "Add CO2 to Silicon Slab", "description": "Place the CO2 molecule on the chosen slab at the specified adsorption site with a height of approximately 2.0 Angstrom and save the combined structure as a CIF file. Submit the path to the CIF file.", "tools": ["add_adsorbate_to_slab_text"], "scoring_function": "adsor... |
cfcf1824-83ec-4619-bce2-12efc34615ad | task_3_retrieve_structure | Retrieve Bulk Structure | Retrieve structure of Cu2O from Materials Project and save it as a CIF file. Submit the path to the CIF file. | ["get_structure_from_mp_text"] | mp_structure | path to cif file (eg. bulk_structure.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_3.json | {"name": "Retrieve Bulk Structure", "description": "Retrieve structure of Cu2O from Materials Project and save it as a CIF file. Submit the path to the CIF file.", "tools": ["get_structure_from_mp_text"], "scoring_function": "mp_structure", "submission_format": "path to cif file (eg. bulk_structure.cif)", "initial_inpu... |
f85513ed-3b81-4f78-b45e-772c8ff39f3d | task_3_enumerate_slabs | Enumerate Possible Slabs | Enumerate possible slabs from the bulk Cu2O structure and save the result as a JSON file. Submit the path to the JSON file. | ["enumerate_slabs_text"] | slabs_json | path to json file (eg. slabs.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_3.json | {"name": "Enumerate Possible Slabs", "description": "Enumerate possible slabs from the bulk Cu2O structure and save the result as a JSON file. Submit the path to the JSON file.", "tools": ["enumerate_slabs_text"], "scoring_function": "slabs_json", "submission_format": "path to json file (eg. slabs.json)", "input_from_t... |
ebcc377d-93f6-4948-bbad-72afab18988b | task_3_choose_slab | Choose Slab | Choose one slab from the enumerated slabs (by index) and save it as a CIF file. Submit the path to the CIF file. | ["choose_slab_text"] | slab_structure | path to cif file (eg. chosen_slab.cif ) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_3.json | {"name": "Choose Slab", "description": "Choose one slab from the enumerated slabs (by index) and save it as a CIF file. Submit the path to the CIF file.", "tools": ["choose_slab_text"], "scoring_function": "slab_structure", "submission_format": "path to cif file (eg. chosen_slab.cif )", "input_from_tasks": ["task_3_enu... |
bbf060f8-6fee-48ac-a353-d93751f9394c | task_3_create_molecule | Create CO2 Molecule | Retrieve CO2 molecule structure from Materials Project and save it as a CIF file. Submit the path to the CIF file. | ["get_structure_from_mp_text"] | mp_structure | path to cif file (eg. co2.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_3.json | {"name": "Create CO2 Molecule", "description": "Retrieve CO2 molecule structure from Materials Project and save it as a CIF file. Submit the path to the CIF file.", "tools": ["get_structure_from_mp_text"], "scoring_function": "mp_structure", "submission_format": "path to cif file (eg. co2.cif)", "initial_input": {"mp_i... |
bde9d905-6f0b-46da-ad25-6508ddf073fd | task_3_get_adsorption_sites | Identify Adsorption Sites | Determine possible adsorption sites on the chosen slab and save the results as a JSON file. Submit the path to the JSON file. | ["get_adsorption_sites_text"] | adsorption_sites | path to json file (eg. adsorption_sites.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_3.json | {"name": "Identify Adsorption Sites", "description": "Determine possible adsorption sites on the chosen slab and save the results as a JSON file. Submit the path to the JSON file.", "tools": ["get_adsorption_sites_text"], "scoring_function": "adsorption_sites", "submission_format": "path to json file (eg. adsorption_si... |
790f0baa-bc06-42d1-9370-9ee35fd4b861 | task_3_choose_adsorption_site | Choose Adsorption Site | Choose one adsorption site (preferably ontop site) from the identified sites and save the coordinates to a file. Submit the path to the file. | ["choose_adsorption_site_text"] | file_exists | path to json file (eg. chosen_site.json) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_3.json | {"name": "Choose Adsorption Site", "description": "Choose one adsorption site (preferably ontop site) from the identified sites and save the coordinates to a file. Submit the path to the file.", "tools": ["choose_adsorption_site_text"], "scoring_function": "file_exists", "submission_format": "path to json file (eg. cho... |
28aa4320-4b51-4b17-b7b4-f43f404e0cb7 | task_3_add_adsorbate | Add CO2 to Silicon Slab | Place the CO2 molecule on the chosen slab at the specified adsorption site with a height of approximately 2.0 Angstrom and save the combined structure as a CIF file. Submit the path to the CIF file. | ["add_adsorbate_to_slab_text"] | adsorption_structure | path to cif file (eg. slab_with_co2.cif) | catalyst | level_1 | subtask | catalyst/environments/level_1/subtasks_json/task_3.json | {"name": "Add CO2 to Silicon Slab", "description": "Place the CO2 molecule on the chosen slab at the specified adsorption site with a height of approximately 2.0 Angstrom and save the combined structure as a CIF file. Submit the path to the CIF file.", "tools": ["add_adsorbate_to_slab_text"], "scoring_function": "adsor... |
e36bedc1-3c32-4454-9a52-4b15207aab46 | si_workflow | Complete CO2 Adsorption on Silicon Slab Workflow | Create a CO2 adsorbed structure on a Silicon slab. Submit the path to the final combined structure CIF file. | ["get_structure_from_mp_text", "enumerate_slabs_text", "choose_slab_text", "get_adsorption_sites_text", "choose_adsorption_site_text", "add_adsorbate_to_slab_text"] | adsorption_structure | path to cif file (eg. slab_with_co2.cif) | catalyst | level_1 | task | catalyst/environments/level_1/tasks_json/task_1.json | {"name": "Complete CO2 Adsorption on Silicon Slab Workflow", "description": "Create a CO2 adsorbed structure on a Silicon slab. Submit the path to the final combined structure CIF file.", "tools": ["get_structure_from_mp_text", "enumerate_slabs_text", "choose_slab_text", "get_adsorption_sites_text", "choose_adsorption_... |
925bf197-2d07-4e47-b8a3-618a2b740cbf | tio2_workflow | Complete CO2 Adsorption on TiO2 Slab Workflow | Create a CO2 adsorbed structure on a Titanium dioxide slab. Submit the path to the final combined structure CIF file. | ["get_structure_from_mp_text", "enumerate_slabs_text", "choose_slab_text", "get_adsorption_sites_text", "choose_adsorption_site_text", "add_adsorbate_to_slab_text"] | adsorption_structure | path to cif file (eg. slab_with_co2.cif) | catalyst | level_1 | task | catalyst/environments/level_1/tasks_json/task_2.json | {"name": "Complete CO2 Adsorption on TiO2 Slab Workflow", "description": "Create a CO2 adsorbed structure on a Titanium dioxide slab. Submit the path to the final combined structure CIF file.", "tools": ["get_structure_from_mp_text", "enumerate_slabs_text", "choose_slab_text", "get_adsorption_sites_text", "choose_adsor... |
70ec5c58-d769-4849-a290-8367e5a47b25 | cu2o_workflow | Complete CO2 Adsorption on Cuprous Oxide Slab Workflow | Create a CO2 adsorbed structure on a Cuprous Oxide slab. Submit the path to the final combined structure CIF file. | ["get_structure_from_mp_text", "enumerate_slabs_text", "choose_slab_text", "get_adsorption_sites_text", "choose_adsorption_site_text", "add_adsorbate_to_slab_text"] | adsorption_structure | path to cif file (eg. slab_with_co2.cif) | catalyst | level_1 | task | catalyst/environments/level_1/tasks_json/task_3.json | {"name": "Complete CO2 Adsorption on Cuprous Oxide Slab Workflow", "description": "Create a CO2 adsorbed structure on a Cuprous Oxide slab. Submit the path to the final combined structure CIF file.", "tools": ["get_structure_from_mp_text", "enumerate_slabs_text", "choose_slab_text", "get_adsorption_sites_text", "choose... |
b040770a-adcc-44c9-b78d-81e9b6264abc | silicon_melting_1_subtask_structure_retrieval | Silicon Structure Retrieval for Melting - Level 1 | Retrieve structure of Silicon and convert it to LAMMPs data format. Return the absolute path of the final structure. | ["get_structure_from_mp_text", "convert_structure_to_lammps_data"] | check_structure | absolute path to structure file (eg. /results/structure/structure.data) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_1.json | {"name": "Silicon Structure Retrieval for Melting - Level 1", "description": "Retrieve structure of Silicon and convert it to LAMMPs data format. Return the absolute path of the final structure.", "tools": ["get_structure_from_mp_text", "convert_structure_to_lammps_data"], "scoring_function": "check_structure", "submis... |
1aa8967f-4ecc-49c1-a5ee-9fee77125e6a | silicon_melting_1_subtask_potential_file | Silicon Potential File for Melting - Level 1 | Procure the appropriate StillingerβWeber (SW) potential file for Silicon for MD simulations. Return the absolute path to the potential file. | ["get_potential_metadata"] | check_potential_file | absolute path to potential file (eg. /results/ffield.reax) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_1.json | {"name": "Silicon Potential File for Melting - Level 1", "description": "Procure the appropriate Stillinger\u2013Weber (SW) potential file for Silicon for MD simulations. Return the absolute path to the potential file.", "tools": ["get_potential_metadata"], "scoring_function": "check_potential_file", "submission_format... |
0a54be03-3b92-4977-981e-f502e95aec22 | silicon_melting_1_subtask_melting | Silicon NPT Melting - Level 1 | Given paths to LAMMPs compatible Silicon structure file and StillingerβWeber potential file, perform NPT melting simulation of Silicon using LAMMPS. Replicate the system three times in each direction. Heat the system from 300K to 2500K at a rate of 2.2 K/ps under NPT ensemble at zero isotropic external pressure control... | ["get_potential_metadata", "run_lammps", "get_nth_run_log", "keyword_log_extractor"] | check_log | {"log_file": "<absolute_path>", "restart_file": "<absolute_path>"} e.g. {"log_file": "/results/log.lammps", "restart_file": "/results/melting/melt.restart"} | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_1.json | {"name": "Silicon NPT Melting - Level 1", "description": "Given paths to LAMMPs compatible Silicon structure file and Stillinger\u2013Weber potential file, perform NPT melting simulation of Silicon using LAMMPS. Replicate the system three times in each direction. Heat the system from 300K to 2500K at a rate of 2.2 K/ps... |
189a7ddb-78c1-471c-9eb4-9d7531783ae2 | silicon_melting_1_subtask_diffusivity | Silicon MSD - Level 1 | Given paths to LAMMPs restart file for liquid silicon at 2500K and StillingerβWeber potential file, equilibrate the liquid silicon under NPT ensemble at 2500K for 500 ps at zero isotropic external pressure control. Compute the mean squared displacement (MSD) of Si atoms over the trajectory. As a file output, return the... | ["get_potential_metadata", "run_lammps", "get_nth_run_log", "keyword_log_extractor"] | check_msd | absolute path to MSD data file (eg. /results/msd.dat) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_1.json | {"name": "Silicon MSD - Level 1", "description": "Given paths to LAMMPs restart file for liquid silicon at 2500K and Stillinger\u2013Weber potential file, equilibrate the liquid silicon under NPT ensemble at 2500K for 500 ps at zero isotropic external pressure control. Compute the mean squared displacement (MSD) of Si ... |
25dc9c2c-32c9-4d07-b570-f2032e7954bb | silicon_melting_1_subtask_diffusion_coefficient | Silicon Diffusion Coefficient Calculation - Level 1 | Using the MSD data file from the equilibration of liquid silicon at 2500K, compute the average self diffusion coefficient using the Einstein relation. The first column is of time in ps, and second column is msd data. Report the diffusion coefficient in units of mΒ²/s. | ["visualisation_tool", "get_nth_run_log", "keyword_log_extractor"] | check_numerical | numerical value without units (eg. 56.00) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_1.json | {"name": "Silicon Diffusion Coefficient Calculation - Level 1", "description": "Using the MSD data file from the equilibration of liquid silicon at 2500K, compute the average self diffusion coefficient using the Einstein relation. The first column is of time in ps, and second column is msd data. Report the diffusion co... |
d3efef9a-5778-4e51-9340-9f033e20361c | na2sio3_quenching_1_subtask_potential_file | Na2SiO3 Potential File for Quenching - Level 1 | Procure the appropriate BKS type potential file for sodium silicate for MD simulations. Return the absolute path to the potential file. | ["get_potential_metadata"] | check_potential_file | absolute path to potential file (eg. /results/ffield.reax) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_2.json | {"name": "Na2SiO3 Potential File for Quenching - Level 1", "description": "Procure the appropriate BKS type potential file for sodium silicate for MD simulations. Return the absolute path to the potential file.", "tools": ["get_potential_metadata"], "scoring_function": "check_potential_file", "submission_format": "abso... |
251e35b5-895f-4ba8-bf38-eead86b88bb9 | na2sio3_quenching_1_subtask_quenching | Na2SiO3 NPT Quenching - Level 1 | Given paths to LAMMPS-compatible Na2SiO3 molten structure and BKS type potential file appropriate for MD simulations, perform NPT cooling of Na2SiO3 using LAMMPS. Cool the system from 4000 K down to 300 K with a cooling rate of 10 K/ps under NPT ensemble at zero external isotropic pressure control with pressure damping... | ["get_potential_metadata", "run_lammps", "get_nth_run_log", "keyword_log_extractor"] | check_log | {"log_file": "<absolute_path>", "restart_file": "<absolute_path>"} e.g. {"log_file": "/results/log.lammps", "restart_file": "/results/melting/melt.restart"} | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_2.json | {"name": "Na2SiO3 NPT Quenching - Level 1", "description": "Given paths to LAMMPS-compatible Na2SiO3 molten structure and BKS type potential file appropriate for MD simulations, perform NPT cooling of Na2SiO3 using LAMMPS. Cool the system from 4000 K down to 300 K with a cooling rate of 10 K/ps under NPT ensemble at ze... |
ec58eeb3-6839-4c82-b803-0b21e03ecdf9 | na2sio3_quenching_1_subtask_equilibration | Na2SiO3 Glass Equilibration - Level 1 | Given paths to LAMMPs restart file for glassy Na2SiO3 at 300K and BKS type potential file, equilibrate the glassy Na2SiO3 under NPT ensemble for 100 ps at zero external isotropic pressure control with pressure damping factor 5000. The potential file already contains the required pair_style, pair_coeff, and kspace_style... | ["get_potential_metadata", "run_lammps", "get_nth_run_log", "keyword_log_extractor"] | check_log | {"log_file": "<absolute_path>"} e.g. {"log_file": "/results/log.lammps"} | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_2.json | {"name": "Na2SiO3 Glass Equilibration - Level 1", "description": "Given paths to LAMMPs restart file for glassy Na2SiO3 at 300K and BKS type potential file, equilibrate the glassy Na2SiO3 under NPT ensemble for 100 ps at zero external isotropic pressure control with pressure damping factor 5000. The potential file alre... |
923eecaf-cf00-4072-923c-dc16ce2d7227 | na2sio3_quenching_1_subtask_tg_calculation | Na2SiO3 Tg Calculation - Level 1 | You are given the LAMMPS log files from the molecular dynamics simulations of sodium silicate. These simulations represent a glass formation protocol carried out using the NPT ensemble. In the first simulation, a pre-equilibrated molten sodium silicate system is cooled from 4000 K down to 300 K. In the second simulatio... | ["get_nth_run_log", "keyword_log_extractor", "visualisation_tool"] | check_numerical | numerical value without units (eg. 56.00) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_2.json | {"name": "Na2SiO3 Tg Calculation - Level 1", "description": "You are given the LAMMPS log files from the molecular dynamics simulations of sodium silicate. These simulations represent a glass formation protocol carried out using the NPT ensemble. In the first simulation, a pre-equilibrated molten sodium silicate system... |
45125ba4-91be-44f5-92f2-6021ea0c1ccc | aluminum_surface_1_subtask_structure_retrieval | Aluminum Structure Retrieval for Surface Area - Level 1 | Retrieve structure of Aluminum and convert it to LAMMPS data format. Return the absolute path of the final structure. | ["get_structure_from_mp_text", "convert_structure_to_lammps_data"] | check_structure | absolute path to structure file (eg. /results/structure.data) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_3.json | {"name": "Aluminum Structure Retrieval for Surface Area - Level 1", "description": "Retrieve structure of Aluminum and convert it to LAMMPS data format. Return the absolute path of the final structure.", "tools": ["get_structure_from_mp_text", "convert_structure_to_lammps_data"], "scoring_function": "check_structure", ... |
7e671fb6-5664-4c8d-912e-4fa9853e72ab | aluminum_surface_1_subtask_potential_file | Aluminum Potential File for Surface Energy - Level 1 | Procure an appropriate EAM potential file for Aluminum for MD simulations. Return the absolute path of the potential file. | ["get_potential_metadata"] | check_potential_file | absolute path to potential file (eg. /results/potentials/EAM/cu.eam) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_3.json | {"name": "Aluminum Potential File for Surface Energy - Level 1", "description": "Procure an appropriate EAM potential file for Aluminum for MD simulations. Return the absolute path of the potential file.", "tools": ["get_potential_metadata"], "scoring_function": "check_potential_file", "submission_format": "absolute pa... |
12863da0-553f-43fe-abcd-7319ec0da777 | aluminum_surface_1_subtask_bulk_energy_minimisation | Aluminum Bulk Minimisation for Surface Energy - Level 1 | Given paths to LAMMPS-compatible Aluminum structure file and EAM potential file, perform bulk relaxation using the given simulation parameters. The simulation should replicate the unit cell 5 times in each of the x, y, and z directions. Report the total energy of the relaxed structure in eV and the absolute path of the... | ["get_potential_metadata", "run_lammps", "get_nth_run_log", "keyword_log_extractor"] | check_numerical | {"BULK ENERGY": "<numerical_value without units>", "path to relaxed structure": "<absolute_path>"} e.g. {"BULK ENERGY": "56.00", "path to relaxed structure": "/structure/structure.dat"} | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_3.json | {"name": "Aluminum Bulk Minimisation for Surface Energy - Level 1", "description": "Given paths to LAMMPS-compatible Aluminum structure file and EAM potential file, perform bulk relaxation using the given simulation parameters. The simulation should replicate the unit cell 5 times in each of the x, y, and z directions.... |
7355391d-4328-4012-a631-2dcccf464524 | aluminum_surface_1_subtask_slab_energy_minimisation | Aluminum Slab Relaxation for Surface Energy - Level 1 | Given paths to LAMMPS-compatible Aluminum structure file and EAM potential file, create a surface whose normal is in the given direction by removing periodic boundary conditions along that direction. Perform structure relaxation based on the given simulation parameters. The simulation should replicate the unit cell 5 t... | ["get_potential_metadata", "run_lammps", "get_nth_run_log", "keyword_log_extractor"] | check_numerical | {"SLAB ENERGY": "<numerical_value without units>", "path to relaxed structure": "<absolute_path>"} e.g. {"SLAB ENERGY": "42.78", "path to relaxed structure": "/structures/slab_structure.dat"} | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_3.json | {"name": "Aluminum Slab Relaxation for Surface Energy - Level 1", "description": "Given paths to LAMMPS-compatible Aluminum structure file and EAM potential file, create a surface whose normal is in the given direction by removing periodic boundary conditions along that direction. Perform structure relaxation based on ... |
3029eb4b-844a-4c5c-85fa-20209a209898 | aluminum_surface_1_subtask_surface | Aluminum Surface Energy Calculation - Level 1 | Given the paths to LAMMPS-compatible relaxed bulk and surface configurations of Aluminum, and their total energies (in eV), compute the surface energy by computing the energy difference per unit area between the bulk and surface configurations. Return the surface energy in eV/Γ
Β². | ["get_potential_metadata", "run_lammps"] | check_numerical | numerical value without units (eg. 56.00) | corral_md | level_1 | subtask | corral_md/environments/level_1/subtasks_json/task_3.json | {"name": "Aluminum Surface Energy Calculation - Level 1", "description": "Given the paths to LAMMPS-compatible relaxed bulk and surface configurations of Aluminum, and their total energies (in eV), compute the surface energy by computing the energy difference per unit area between the bulk and surface configurations. R... |
c54be884-e347-401d-bcc9-afccd9ccd211 | silicon_melting_1 | Melting of Silicon - Level 1 | Calculate the average self diffusion coefficient of liquid silicon at 2500K using molecular dynamics simulations with LAMMPS. Start from a crystalline silicon structure, which is replicated three times in each direction. The Stillinger-Weber (SW) potential should be used to describe interatomic interactions. Perform th... | ["get_potential_metadata", "get_structure_from_mp_text", "convert_structure_to_lammps_data", "run_lammps", "get_nth_run_log", "keyword_log_extractor", "visualisation_tool"] | check_numerical | numerical value without units (eg. 56.00) | corral_md | level_1 | task | corral_md/environments/level_1/tasks_json/task_1.json | {"name": "Melting of Silicon - Level 1", "description": "Calculate the average self diffusion coefficient of liquid silicon at 2500K using molecular dynamics simulations with LAMMPS. Start from a crystalline silicon structure, which is replicated three times in each direction. The Stillinger-Weber (SW) potential should... |
07801519-d189-4c82-bdc4-59e3954110a9 | na2sio3_quenching_1 | Quenching of Sodium Silicate - Level 1 | Determine the glass transition temperature (Tg) of sodium silicate by quenching a molten configuration using molecular dynamics simulations. Start from the given pre-equilibrated molten sodium silicate structure. Use the provided Buckingham + Coulomb (BKS-type) potential with long-range electrostatics (PPPM) to define ... | ["get_potential_metadata", "get_structure_from_mp_text", "convert_structure_to_lammps_data", "run_lammps", "get_nth_run_log", "keyword_log_extractor", "visualisation_tool"] | check_numerical | numerical value without units (eg. 56.00) | corral_md | level_1 | task | corral_md/environments/level_1/tasks_json/task_2.json | {"name": "Quenching of Sodium Silicate - Level 1", "description": "Determine the glass transition temperature (Tg) of sodium silicate by quenching a molten configuration using molecular dynamics simulations. Start from the given pre-equilibrated molten sodium silicate structure. Use the provided Buckingham + Coulomb (B... |
67fef9d6-eb98-4f01-a7fa-632c9298946a | aluminum_surface_energy_1 | Aluminum Surface Energy - Level 1 | Calculate the surface energy of Aluminum for the surface whose normal is along the given direction by removing periodic boundary conditions in the given direction and computing the energy difference per unit area between the bulk and surface configurations. Use the Embedded Atom Method (EAM) potential and the following... | ["get_potential_metadata", "get_structure_from_mp_text", "convert_structure_to_lammps_data", "run_lammps", "get_nth_run_log", "keyword_log_extractor", "visualisation_tool"] | check_numerical | numerical value without units (eg. 56.00) | corral_md | level_1 | task | corral_md/environments/level_1/tasks_json/task_3.json | {"name": "Aluminum Surface Energy - Level 1", "description": "Calculate the surface energy of Aluminum for the surface whose normal is along the given direction by removing periodic boundary conditions in the given direction and computing the energy difference per unit area between the bulk and surface configurations. ... |
e0079779-ab27-4f54-9353-2a1d237271d3 | silicon_melting_2 | Melting of Silicon - Level 2 | Calculate the average self diffusion coefficient of liquid silicon at 2500K using molecular dynamics simulations with LAMMPS. Start from a crystalline silicon structure, which is replicated three times in each direction. The Stillinger-Weber (SW) potential should be used to describe interatomic interactions. Perform th... | ["get_potential_metadata", "get_structure_from_mp_text", "convert_structure_to_lammps_data", "run_lammps", "get_nth_run_log", "keyword_log_extractor", "visualisation_tool"] | check_numerical | numerical value without units (eg. 1.77e-10) | corral_md | level_2 | task | corral_md/environments/level_2/tasks_json/task_1.json | {"name": "Melting of Silicon - Level 2", "description": "Calculate the average self diffusion coefficient of liquid silicon at 2500K using molecular dynamics simulations with LAMMPS. Start from a crystalline silicon structure, which is replicated three times in each direction. The Stillinger-Weber (SW) potential should... |
459a5c8a-31fa-4242-9080-729c534e7625 | aluminum_surface_energy_2 | Aluminum Surface Energy - Level 2 | Calculate the surface energy of Aluminum for the surface whose normal is along the given direction by removing periodic boundary conditions in the given direction and computing the energy difference per unit area between the bulk and surface configurations. Use the Embedded Atom Method (EAM) potential and the following... | ["get_potential_metadata", "get_structure_from_mp_text", "convert_structure_to_lammps_data", "run_lammps", "get_nth_run_log", "keyword_log_extractor", "visualisation_tool"] | check_numerical | numerical value without units (eg. 56.00) | corral_md | level_2 | task | corral_md/environments/level_2/tasks_json/task_2.json | {"name": "Aluminum Surface Energy - Level 2", "description": "Calculate the surface energy of Aluminum for the surface whose normal is along the given direction by removing periodic boundary conditions in the given direction and computing the energy difference per unit area between the bulk and surface configurations. ... |
ed26343f-a680-4cfc-b1de-533aa8280bdc | batch_retrieve_oxide_polymorphs | Batch Retrieve Oxide Polymorphs | Generate a diverse list of oxide compositions for dataset creation. Retrieve polymorphs for all oxide compositions from Materials Project database. For each composition, collect multiple polymorphs including both stable and metastable structures. Consolidate all individual polymorph files into a single comprehensive da... | ["batch_retrieve_polymorphs", "filter_json_with_strategy", "select_polymorphs_with_strategy_to_file", "consolidate_polymorph_datasets", "select_polymorphs_with_strategy", "get_bulk_polymorphs_data", "sort_and_get_first_from_json", "get_bulk_polymorphs_data_to_file"] | score_polymorph_dataset | path to the json file (eg. polymorph_data.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_1.json | {"name": "Batch Retrieve Oxide Polymorphs", "description": "Generate a diverse list of oxide compositions for dataset creation. Retrieve polymorphs for all oxide compositions from Materials Project database. For each composition, collect multiple polymorphs including both stable and metastable structures. Consolidate a... |
933bb943-6b81-4548-9d68-323723569f23 | task_1_prepare_ml_ready_dataset | Prepare ML-Ready Dataset | Transform the consolidated dataset into ML-ready format with engineered features, proper train/test splits. Create a metadata json file with `features`, `train_path` and `test_path`. | ["prepare_tabular_dataset"] | ml_dataset_preparation_quality_binary | path to the json file (eg. ml_dataset_metadata.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_1.json | {"name": "Prepare ML-Ready Dataset", "description": "Transform the consolidated dataset into ML-ready format with engineered features, proper train/test splits. Create a metadata json file with `features`, `train_path` and `test_path`.", "tools": ["prepare_tabular_dataset"], "scoring_function": "ml_dataset_preparation_... |
71737708-b654-4109-b89f-85d2f6b2c381 | task_1_train_xgboost_formation_energy_model | Train XGBoost Formation Energy Model | Train an XGBoost regression model to predict formation energies of oxide polymorphs. Use the prepared dataset with optimized hyperparameters for oxide materials. Focus on achieving good generalization performance across different oxide families and structural types. | ["train_xgboost_model", "perform_cross_validation"] | model_training_success_binary | path to the model checkpoint file (eg. trained_xgboost_model.pkl) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_1.json | {"name": "Train XGBoost Formation Energy Model", "description": "Train an XGBoost regression model to predict formation energies of oxide polymorphs. Use the prepared dataset with optimized hyperparameters for oxide materials. Focus on achieving good generalization performance across different oxide families and struct... |
4b743314-5d59-4967-894e-b0cbb3825402 | task_1_evaluate_model_performance | Evaluate Model Performance | Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The test_set_evaluation dictionary must contain `mae`, `rmse`, `r2`, and `feature_importance`. The cross_validation_results dictionary must cont... | ["evaluate_xgboost_model", "perform_cross_validation"] | model_evaluation_completeness_binary | path to the results file (eg. model_evaluation_results.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_1.json | {"name": "Evaluate Model Performance", "description": "Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The test_set_evaluation dictionary must contain `mae`, `rmse`, `r2`, and `feature_importa... |
15abe939-9946-45e5-8cba-69faad7004d1 | batch_retrieve_nitride_polymorphs | Batch Retrieve Nitride Polymorphs | Generate a diverse list of nitride compositions for dataset creation. Retrieve polymorphs for all nitride compositions from Materials Project database. For each composition, collect multiple polymorphs including both stable and metastable structures. Consolidate all individual polymorph files into a single comprehensiv... | ["batch_retrieve_polymorphs", "filter_json_with_strategy", "select_polymorphs_with_strategy_to_file", "consolidate_polymorph_datasets", "select_polymorphs_with_strategy", "get_bulk_polymorphs_data", "sort_and_get_first_from_json", "get_bulk_polymorphs_data_to_file"] | score_polymorph_dataset | path to the json file (eg. polymorph_data.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_2.json | {"name": "Batch Retrieve Nitride Polymorphs", "description": "Generate a diverse list of nitride compositions for dataset creation. Retrieve polymorphs for all nitride compositions from Materials Project database. For each composition, collect multiple polymorphs including both stable and metastable structures. Consoli... |
22a3ae4d-f085-4cc5-ad8b-d4a1d5dc3055 | task_2_prepare_ml_ready_dataset | Prepare ML-Ready Dataset | Transform the consolidated dataset into ML-ready format with engineered features, proper train/test splits. Create a metadata json file with `features`, `train_path` and `test_path`. | ["prepare_tabular_dataset"] | ml_dataset_preparation_quality_binary | path to the json file (eg. ml_dataset_metadata.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_2.json | {"name": "Prepare ML-Ready Dataset", "description": "Transform the consolidated dataset into ML-ready format with engineered features, proper train/test splits. Create a metadata json file with `features`, `train_path` and `test_path`.", "tools": ["prepare_tabular_dataset"], "scoring_function": "ml_dataset_preparation_... |
9a1289fc-91bd-4c72-89cc-2e8b6ddb19dc | task_2_train_xgboost_formation_energy_model | Train XGBoost Formation Energy Model | Train an XGBoost regression model to predict formation energies of nitride polymorphs. Use the prepared dataset with optimized hyperparameters for nitride materials. Focus on achieving good generalization performance across different nitride families and structural types. | ["train_xgboost_model", "perform_cross_validation"] | model_training_success_binary | path to the model checkpoint file (eg. trained_xgboost_model.pkl) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_2.json | {"name": "Train XGBoost Formation Energy Model", "description": "Train an XGBoost regression model to predict formation energies of nitride polymorphs. Use the prepared dataset with optimized hyperparameters for nitride materials. Focus on achieving good generalization performance across different nitride families and ... |
2f17a16f-4b4c-4d7b-8c06-11b19a47467b | task_2_evaluate_model_performance | Evaluate Model Performance | Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The test_set_evaluation dictionary must contain `mae`, `rmse`, `r2`, and `feature_importance`. The cross_validation_results dictionary must cont... | ["evaluate_xgboost_model", "perform_cross_validation"] | model_evaluation_completeness_binary | path to the results file (eg. model_evaluation_results.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_2.json | {"name": "Evaluate Model Performance", "description": "Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The test_set_evaluation dictionary must contain `mae`, `rmse`, `r2`, and `feature_importa... |
eb23b495-bc5f-4f51-aa2a-d0ef3c509c22 | batch_retrieve_sulphide_polymorphs | Batch Retrieve Sulphide Polymorphs | Generate a diverse list of sulphide compositions for dataset creation. Retrieve polymorphs for all sulphide compositions from Materials Project database. For each composition, collect multiple polymorphs including both stable and metastable structures. Consolidate all individual polymorph files into a single comprehens... | ["batch_retrieve_polymorphs", "filter_json_with_strategy", "select_polymorphs_with_strategy_to_file", "consolidate_polymorph_datasets", "select_polymorphs_with_strategy", "get_bulk_polymorphs_data", "sort_and_get_first_from_json", "get_bulk_polymorphs_data_to_file"] | score_polymorph_dataset | path to the json file (eg. polymorph_data.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_3.json | {"name": "Batch Retrieve Sulphide Polymorphs", "description": "Generate a diverse list of sulphide compositions for dataset creation. Retrieve polymorphs for all sulphide compositions from Materials Project database. For each composition, collect multiple polymorphs including both stable and metastable structures. Cons... |
949c2d47-6392-43f5-803f-22495693628b | task_3_prepare_ml_ready_dataset | Prepare ML-Ready Dataset | Transform the consolidated dataset into ML-ready format with engineered features, proper train/test splits. Create a metadata json file with `features`, `train_path` and `test_path`. | ["prepare_tabular_dataset"] | ml_dataset_preparation_quality_binary | path to the json file (eg. ml_dataset_metadata.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_3.json | {"name": "Prepare ML-Ready Dataset", "description": "Transform the consolidated dataset into ML-ready format with engineered features, proper train/test splits. Create a metadata json file with `features`, `train_path` and `test_path`.", "tools": ["prepare_tabular_dataset"], "scoring_function": "ml_dataset_preparation_... |
dbf304e2-ab06-4118-8530-96b3d4c34c21 | task_3_train_xgboost_formation_energy_model | Train XGBoost Formation Energy Model | Train an XGBoost regression model to predict formation energies of sulphide polymorphs. Use the prepared dataset with optimized hyperparameters for sulphide materials. Focus on achieving good generalization performance across different sulphide families and structural types. | ["train_xgboost_model", "perform_cross_validation"] | model_training_success_binary | path to the model checkpoint file (eg. trained_xgboost_model.pkl) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_3.json | {"name": "Train XGBoost Formation Energy Model", "description": "Train an XGBoost regression model to predict formation energies of sulphide polymorphs. Use the prepared dataset with optimized hyperparameters for sulphide materials. Focus on achieving good generalization performance across different sulphide families a... |
857cf98a-7dc6-4039-98b4-694d8b7d82ef | task_3_evaluate_model_performance | Evaluate Model Performance | Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The test_set_evaluation dictionary must contain `mae`, `rmse`, `r2`, and `feature_importance`. The cross_validation_results dictionary must cont... | ["evaluate_xgboost_model", "perform_cross_validation"] | model_evaluation_completeness_binary | path to the results file (eg. model_evaluation_results.json) | ml | level_1 | subtask | ml/environments/level_1/subtasks_json/task_3.json | {"name": "Evaluate Model Performance", "description": "Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The test_set_evaluation dictionary must contain `mae`, `rmse`, `r2`, and `feature_importa... |
4929fa10-2419-460a-a924-dab9e576b690 | ml_oxides | Train XGBoost model | Generate a comprehensive dataset of oxide polymorphs from Materials Project and train an XGBoost model to predict formation energies. Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The test_s... | ["batch_retrieve_polymorphs", "filter_json_with_strategy", "select_polymorphs_with_strategy_to_file", "consolidate_polymorph_datasets", "select_polymorphs_with_strategy", "get_bulk_polymorphs_data", "sort_and_get_first_from_json", "get_bulk_polymorphs_data_to_file", "prepare_tabular_dataset", "train_xgboost_model", "ev... | model_evaluation_completeness_binary | path to the results file (eg. model_evaluation_results.json) | ml | level_1 | task | ml/environments/level_1/tasks_json/task_1.json | {"name": "Train XGBoost model", "description": "Generate a comprehensive dataset of oxide polymorphs from Materials Project and train an XGBoost model to predict formation energies. Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evalua... |
23f33dde-8533-49f5-b8e1-1d086d1d2048 | ml_nitrides | Train XGBoost model | Generate a comprehensive dataset of nitrides polymorphs from Materials Project and train an XGBoost model to predict formation energies. Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The tes... | ["batch_retrieve_polymorphs", "filter_json_with_strategy", "select_polymorphs_with_strategy_to_file", "consolidate_polymorph_datasets", "select_polymorphs_with_strategy", "get_bulk_polymorphs_data", "sort_and_get_first_from_json", "get_bulk_polymorphs_data_to_file", "prepare_tabular_dataset", "train_xgboost_model", "ev... | model_evaluation_completeness_binary | path to the results file (eg. model_evaluation_results.json) | ml | level_1 | task | ml/environments/level_1/tasks_json/task_2.json | {"name": "Train XGBoost model", "description": "Generate a comprehensive dataset of nitrides polymorphs from Materials Project and train an XGBoost model to predict formation energies. Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_eva... |
c082e0b7-9a60-4f5c-a6f8-ffcc49e6ef59 | ml_sulphides | Train XGBoost model | Generate a comprehensive dataset of sulphides polymorphs from Materials Project and train an XGBoost model to predict formation energies. Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_evaluation` and `cross_validation_results`. The te... | ["batch_retrieve_polymorphs", "filter_json_with_strategy", "select_polymorphs_with_strategy_to_file", "consolidate_polymorph_datasets", "select_polymorphs_with_strategy", "get_bulk_polymorphs_data", "sort_and_get_first_from_json", "get_bulk_polymorphs_data_to_file", "prepare_tabular_dataset", "train_xgboost_model", "ev... | model_evaluation_completeness_binary | path to the results file (eg. model_evaluation_results.json) | ml | level_1 | task | ml/environments/level_1/tasks_json/task_3.json | {"name": "Train XGBoost model", "description": "Generate a comprehensive dataset of sulphides polymorphs from Materials Project and train an XGBoost model to predict formation energies. Evaluate the trained XGBoost model using test set and cross-validation metrics. Save the results as a JSON file with keys `test_set_ev... |
9894777f-1eed-4a79-b114-6217818171c1 | task_0_subnet_1 | task_0_subnet_1 | Identify topology of subnetwork 1 between nodes A and X1. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_1.json | {"name": "task_0_subnet_1", "description": "Identify topology of subnetwork 1 between nodes A and X1.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_top... |
42919d6c-8e4b-4902-b7bf-4302f69d2431 | task_0_subnet_2 | task_0_subnet_2 | Identify topology of subnetwork 2 between nodes X1 and B. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_1.json | {"name": "task_0_subnet_2", "description": "Identify topology of subnetwork 2 between nodes X1 and B.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_top... |
5aa274c7-07d7-44c7-822e-a70ac9870c97 | task_0_final_assembly | Final Network Assembly | Combine all subnetworks to form the complete resistor network topology. | ["calculate_series_resistance", "calculate_parallel_resistance", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_1.json | {"name": "Final Network Assembly", "description": "Combine all subnetworks to form the complete resistor network topology.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_topology", "scoring_params": {"exp... |
bb9c7d0f-f368-4bad-af80-f84bb6f0040f | task_1_subnet_1 | task_1_subnet_1 | Identify topology of subnetwork 1 between nodes A and X1. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_2.json | {"name": "task_1_subnet_1", "description": "Identify topology of subnetwork 1 between nodes A and X1.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_top... |
d4f13bd7-17d5-4736-8330-1d3d33b2a949 | task_1_subnet_2 | task_1_subnet_2 | Identify topology of subnetwork 2 between nodes X1 and B. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_2.json | {"name": "task_1_subnet_2", "description": "Identify topology of subnetwork 2 between nodes X1 and B.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_top... |
7c5e27f4-7212-4060-b23c-5dd078b111a6 | task_1_final_assembly | Final Network Assembly | Combine all subnetworks to form the complete resistor network topology. | ["calculate_series_resistance", "calculate_parallel_resistance", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_2.json | {"name": "Final Network Assembly", "description": "Combine all subnetworks to form the complete resistor network topology.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_topology", "scoring_params": {"exp... |
8ae71a2f-a83b-436e-b29b-6ca8c750c3a9 | task_2_subnet_1 | task_2_subnet_1 | Identify topology of subnetwork 1 between nodes A and X1. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_3.json | {"name": "task_2_subnet_1", "description": "Identify topology of subnetwork 1 between nodes A and X1.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_top... |
e3b970e3-dc07-479f-95eb-c8c6c9691e1f | task_2_subnet_2 | task_2_subnet_2 | Identify topology of subnetwork 2 between nodes X1 and X2. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_3.json | {"name": "task_2_subnet_2", "description": "Identify topology of subnetwork 2 between nodes X1 and X2.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_to... |
13aa6c5f-1b02-42c6-8bd2-a05ce538caba | task_2_subnet_3 | task_2_subnet_3 | Identify topology of subnetwork 3 between nodes X2 and B. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_3.json | {"name": "task_2_subnet_3", "description": "Identify topology of subnetwork 3 between nodes X2 and B.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_top... |
e2acb2b9-3dbc-4568-9313-911000383ffa | task_2_final_assembly | Final Network Assembly | Combine all subnetworks to form the complete resistor network topology. | ["calculate_series_resistance", "calculate_parallel_resistance", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_3.json | {"name": "Final Network Assembly", "description": "Combine all subnetworks to form the complete resistor network topology.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_topology", "scoring_params": {"exp... |
421961ff-b19f-403b-818d-71bce20d824a | task_3_subnet_1 | task_3_subnet_1 | Identify topology of subnetwork 1 between nodes A and X1. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_4.json | {"name": "task_3_subnet_1", "description": "Identify topology of subnetwork 1 between nodes A and X1.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_top... |
00a76881-05f2-4ec7-9e8f-04268071a759 | task_3_subnet_2 | task_3_subnet_2 | Identify topology of subnetwork 2 between nodes X1 and X2. | ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"] | resistor_topology | JSON string with circuit topology (e.g., {"resistors": {"R1": x, ...}, "connections": [["A","B","R1"], ...]}) | resistor_network | level_1 | subtask | resistor_network/environments/level_1/subtasks_json/task_4.json | {"name": "task_3_subnet_2", "description": "Identify topology of subnetwork 2 between nodes X1 and X2.", "tools": ["calculate_series_resistance", "calculate_parallel_resistance", "delta_to_wye_transform", "wye_to_delta_transform", "simulate_circuit_resistance", "validate_measurements"], "scoring_function": "resistor_to... |
Corral β Environment Tasks
Task definitions across the 8 Corral environments, including descriptions, allowed tools, scoring functions, and submission formats
π Dataset Summary
This dataset is part of the Corral collection accompanying the paper AI scientists produce results without reasoning scientifically. It contains the task definitions for the 8 environments included in the Corral benchmark.
The dataset is organized into multiple configurations, with one config per environment, scope, and granularity combination (tasks or subtasks). Together, these configs expose the task catalog used throughout Corral across difficulty settings and task granularities.
Each row corresponds to a distinct task specification and includes the task name, description, allowed tools, scoring function, and submission format. This resource is intended for benchmark inspection, reproducibility, environment understanding, and development of agents that interact with Corral tasks rather than for general-purpose model pre-training.
π― Supported Uses
- π§ Inspecting the task definitions available in each Corral environment and scope
- π§° Auditing which tools are permitted for a given task or subtask
- π Understanding how tasks are scored and what submission format they require
- π Building agents, prompts, and evaluations against the published Corral task catalog
π§ͺ About Corral
Corral is a framework for the science of agents and agents for science. It provides a microservice architecture that decouples agents from environments via a clientβserver design (REST API), ensuring flexibility, reproducibility, and robust isolation.
- π Environments define the task space, available tools, and observable feedback β from chemistry labs to HPC clusters.
- π€ Agents are modular LLM-based entities supporting scaffolds such as ReAct, ToolCalling, LLMPlanner, and Reflection.
- π Tasks define problems to solve, complete with scoring functions. Tasks can be chained into TaskGroups for complex multi-stage challenges.
Corral currently ships 8 environments, 97 tools, 115 tasks, and 786 subtasks spanning chemistry, physics, and materials science.
π Environments
| Environment | Description | π§ Tools | π Tasks/scope | π Scopes | β±οΈ Avg. trace length |
|---|---|---|---|---|---|
| π§« Inorganic Qualitative Analysis | Identify unknown cations in solution through systematic wet-lab procedures (reagent addition, flame tests, pH measurement, centrifugation, etc.). Observations are computed from thermodynamic data. Three scopes progressively increase the number of candidate ions. | 14 | 10 | 3 | 39.4 |
| β‘ Circuit Inference | Recover the topology and component values of a hidden resistor network from pairwise resistance measurements. Tools provide series/parallel calculations, delta-wye transforms, and circuit validation. | 9 | 6 | 1 | 15.0 |
| π Spectroscopic Structure Elucidation | Determine the molecular structure of an unknown compound by requesting and interpreting spectroscopic data (MS, NMR, HSQC, IR) alongside reference databases for chemical shifts and isotope distributions. | 16 | 20 | 2 | 15.1 |
| 𧬠Retrosynthetic Planning | Design multi-step synthetic routes to target molecules under cost, step-count, and commercial-availability constraints, using a template catalogue and functional-group detection tools. | 15 | 8 | 3 | 25.5 |
| π€ ML-based Property Prediction | Assemble a complete ML pipeline to predict formation energies of material polymorphs using data from the Materials Project, covering feature engineering, XGBoost training, and cross-validation. | 14 | 3 | 1 | 16.6 |
| π¬ AFM Experiment Execution | Analyze and interpret atomic force microscopy data for nanoscale surface characterization, including topographical and mechanical property measurements. | 6 | 1 | 4 | 26.3 |
| βοΈ Molecular Simulation | Design and execute molecular dynamics simulations with LAMMPS to predict materials properties, covering the full workflow from crystal structure retrieval to force-field queries and log analysis. | 8 | 2β3 | 2 | 30.4 |
| ποΈ Adsorption Surface Construction | Build adsorbateβslab configurations from bulk crystal structures for heterogeneous catalysis studies, integrating Materials Project retrieval, slab generation, and adsorption-site enumeration. | 15 | 3 | 1 | 19.6 |
ποΈ Dataset Structure
Configs
Each config corresponds to one unique combination of environment, scope, and granularity (tasks or subtasks).
Data Splits
All configs expose a single train split.
Data Instances
Each row corresponds to one task definition within a given environment/scope/granularity config. Rows include the task name, task description, the tools allowed for solving it, the scoring function used for evaluation, and the expected submission format.
ποΈ Dataset Creation
Curation Rationale
This dataset was created as part of Corral to make the benchmark's task specifications directly accessible across environments, scopes, and granularities. It supports reproducibility, environment inspection, and agent development by exposing the exact task definitions used in the benchmark.
Source Data
The task records were derived from the Corral environment specifications. For each environment, scope, and task or subtask granularity, the corresponding config contains the published task definitions together with their execution constraints and evaluation metadata.
π Relation to Other Corral Artifacts
This dataset is one component of the broader Corral release and is best interpreted together with the matching task definitions, execution traces, reports, aggregate results, and reasoning annotations available in the Corral collection.
π Citation
@article{rΓos-garcΓa2026ai,
title = {AI scientists produce results without reasoning scientifically},
author = {MartiΓ±o RΓos-GarcΓa and Nawaf Alampara and Chandan Gupta and Indrajeet Mandal and Sajid Mannan and Ali Asghar Aghajani and N. M. Anoop Krishnan and Kevin Maik Jablonka},
year = {2026},
journal = {arXiv preprint arXiv: 2604.18805}
}
π License
This dataset is released under the MIT License.
Changelog
2026-04-22
- Initial release of the dataset card.
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