Update README.md
Browse files
README.md
CHANGED
|
@@ -7,19 +7,64 @@ metrics:
|
|
| 7 |
accuracy: 0.68
|
| 8 |
---
|
| 9 |
|
|
|
|
| 10 |
|
|
|
|
|
|
|
| 11 |
|
| 12 |
-
|
| 13 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 14 |
|
| 15 |
## Task type
|
| 16 |
Protein-level Classification
|
| 17 |
|
| 18 |
## Model input type
|
| 19 |
-
AA Sequence
|
| 20 |
|
| 21 |
-
##
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 22 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 23 |
- **r:** 8
|
| 24 |
- **lora_dropout:** 0.1
|
| 25 |
- **lora_alpha:** 16
|
|
@@ -27,7 +72,6 @@ AA Sequence
|
|
| 27 |
- **modules_to_save:** ['classifier']
|
| 28 |
|
| 29 |
## Training config
|
| 30 |
-
|
| 31 |
- **optimizer:**
|
| 32 |
- **class:** AdamW
|
| 33 |
- **betas:** (0.9, 0.98)
|
|
|
|
| 7 |
accuracy: 0.68
|
| 8 |
---
|
| 9 |
|
| 10 |
+
# Model Card for Model-Demo-35M
|
| 11 |
|
| 12 |
+
## Description
|
| 13 |
+
This is a protein **EC number classification model** based on SaProt_35M_AF2, fine-tuned with LoRA. The model can classify proteins into **6 major EC classes (EC1-EC6)**. Since there are only 31 samples for EC7 in the raw dataset, this class is excluded from training and prediction.
|
| 14 |
|
| 15 |
+
Label mapping:
|
| 16 |
+
- **Label 0**: Oxidoreductase (EC1)
|
| 17 |
+
- **Label 1**: Transferase (EC2)
|
| 18 |
+
- **Label 2**: Hydrolase (EC3)
|
| 19 |
+
- **Label 3**: Lyase (EC4)
|
| 20 |
+
- **Label 4**: Isomerase (EC5)
|
| 21 |
+
- **Label 5**: Ligase (EC6)
|
| 22 |
+
|
| 23 |
+
Training data is obtained from: https://academic.oup.com/nar/article/54/D1/D643/8313833
|
| 24 |
+
|
| 25 |
+
To address the **class imbalance problem** in the training set, we performed data augmentation:
|
| 26 |
+
- Label 4 (EC5) samples were duplicated **2 times**
|
| 27 |
+
- Label 5 (EC6) samples were duplicated **1 time**
|
| 28 |
|
| 29 |
## Task type
|
| 30 |
Protein-level Classification
|
| 31 |
|
| 32 |
## Model input type
|
| 33 |
+
Amino acid sequence (AA Sequence)
|
| 34 |
|
| 35 |
+
## Dataset Distribution
|
| 36 |
+
|
| 37 |
+
### Training set
|
| 38 |
+
- Label 0: 1497 (28.5%)
|
| 39 |
+
- Label 2: 1217 (23.2%)
|
| 40 |
+
- Label 1: 1050 (19.9%)
|
| 41 |
+
- Label 3: 512 (9.7%)
|
| 42 |
+
- Label 4: 496 (9.4%)
|
| 43 |
+
- Label 5: 483 (9.2%)
|
| 44 |
+
Total: 5255 samples
|
| 45 |
|
| 46 |
+
### Validation set
|
| 47 |
+
- Label 0: 187 (32.0%)
|
| 48 |
+
- Label 2: 152 (26.0%)
|
| 49 |
+
- Label 1: 131 (22.4%)
|
| 50 |
+
- Label 3: 64 (10.9%)
|
| 51 |
+
- Label 4: 31 (5.3%)
|
| 52 |
+
- Label 5: 20 (3.4%)
|
| 53 |
+
Total: 585 samples
|
| 54 |
+
|
| 55 |
+
### Test set
|
| 56 |
+
- Label 0: 188 (31.8%)
|
| 57 |
+
- Label 2: 153 (25.9%)
|
| 58 |
+
- Label 1: 132 (22.3%)
|
| 59 |
+
- Label 3: 65 (11.0%)
|
| 60 |
+
- Label 4: 32 (5.4%)
|
| 61 |
+
- Label 5: 21 (3.5%)
|
| 62 |
+
Total: 591 samples
|
| 63 |
+
|
| 64 |
+
## Performance (on test set)
|
| 65 |
+
- **Accuracy: 0.68**
|
| 66 |
+
|
| 67 |
+
## LoRA config
|
| 68 |
- **r:** 8
|
| 69 |
- **lora_dropout:** 0.1
|
| 70 |
- **lora_alpha:** 16
|
|
|
|
| 72 |
- **modules_to_save:** ['classifier']
|
| 73 |
|
| 74 |
## Training config
|
|
|
|
| 75 |
- **optimizer:**
|
| 76 |
- **class:** AdamW
|
| 77 |
- **betas:** (0.9, 0.98)
|