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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 Stillinger–Weber (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 Stillinger–Weber 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 Stillinger–Weber 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...
End of preview. Expand in Data Studio

Corral – Environment Tasks

Corral Logo

Website Docs GitHub License: MIT Paper Dataset

Task definitions across the 8 Corral environments, including descriptions, allowed tools, scoring functions, and submission formats


πŸ“‹ 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.

🎯 Supported Uses

  • 🧠 Inspecting the task definitions available in each Corral environment and scope
  • 🧰 Auditing which tools are permitted for a given task or subtask
  • πŸ“Š Understanding how tasks are scored and what submission format they require
  • πŸ” Building agents, prompts, and evaluations against the published Corral task catalog

πŸ§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 client–server design (REST API), ensuring flexibility, reproducibility, and robust isolation.

  • 🌍 Environments define the task space, available tools, and observable feedback β€” from chemistry labs to HPC clusters.
  • πŸ€– Agents are modular LLM-based entities supporting scaffolds such as ReAct, ToolCalling, LLMPlanner, and Reflection.
  • πŸ“ 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.

🌍 Environments

Environment Description πŸ”§ Tools πŸ“ Tasks/scope πŸ”­ Scopes ⏱️ Avg. trace length
🧫 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
⚑ 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
πŸ”­ 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
🧬 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
πŸ€– 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
πŸ”¬ 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
βš›οΈ 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 2–3 2 30.4
πŸ—οΈ Adsorption Surface Construction Build adsorbate–slab configurations from bulk crystal structures for heterogeneous catalysis studies, integrating Materials Project retrieval, slab generation, and adsorption-site enumeration. 15 3 1 19.6

πŸ—‚οΈ 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.


πŸ—οΈ 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.


πŸ”— 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.


πŸ“„ 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}
}

πŸ“œ License

This dataset is released under the MIT License.

Changelog

2026-04-22

  • Initial release of the dataset card.
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