ChemBERTa-77M-MLM-finetuned-bace
This model is a fine-tuned version of DeepChem/ChemBERTa-77M-MLM on the None dataset. It achieves the following results on the evaluation set:
- Loss: 0.0592
Model description
More information needed
Intended uses & limitations
More information needed
Training and evaluation data
More information needed
Training procedure
Training hyperparameters
The following hyperparameters were used during training:
- learning_rate: 2e-05
- train_batch_size: 8
- eval_batch_size: 8
- seed: 42
- optimizer: Adam with betas=(0.9,0.999) and epsilon=1e-08
- lr_scheduler_type: linear
- num_epochs: 50
Training results
| Training Loss | Epoch | Step | Validation Loss |
|---|---|---|---|
| No log | 1.0 | 152 | 0.1396 |
| No log | 2.0 | 304 | 0.1761 |
| No log | 3.0 | 456 | 0.1527 |
| 0.2304 | 4.0 | 608 | 0.1260 |
| 0.2304 | 5.0 | 760 | 0.1307 |
| 0.2304 | 6.0 | 912 | 0.1256 |
| 0.178 | 7.0 | 1064 | 0.1016 |
| 0.178 | 8.0 | 1216 | 0.0890 |
| 0.178 | 9.0 | 1368 | 0.1486 |
| 0.1588 | 10.0 | 1520 | 0.1047 |
| 0.1588 | 11.0 | 1672 | 0.1072 |
| 0.1588 | 12.0 | 1824 | 0.1336 |
| 0.1588 | 13.0 | 1976 | 0.0955 |
| 0.1473 | 14.0 | 2128 | 0.0946 |
| 0.1473 | 15.0 | 2280 | 0.0940 |
| 0.1473 | 16.0 | 2432 | 0.0756 |
| 0.1415 | 17.0 | 2584 | 0.1275 |
| 0.1415 | 18.0 | 2736 | 0.1175 |
| 0.1415 | 19.0 | 2888 | 0.0743 |
| 0.1237 | 20.0 | 3040 | 0.0811 |
| 0.1237 | 21.0 | 3192 | 0.1033 |
| 0.1237 | 22.0 | 3344 | 0.0877 |
| 0.1237 | 23.0 | 3496 | 0.0835 |
| 0.1254 | 24.0 | 3648 | 0.1107 |
| 0.1254 | 25.0 | 3800 | 0.1098 |
| 0.1254 | 26.0 | 3952 | 0.1138 |
| 0.1238 | 27.0 | 4104 | 0.0896 |
| 0.1238 | 28.0 | 4256 | 0.0923 |
| 0.1238 | 29.0 | 4408 | 0.1019 |
| 0.1161 | 30.0 | 4560 | 0.1115 |
| 0.1161 | 31.0 | 4712 | 0.0716 |
| 0.1161 | 32.0 | 4864 | 0.1300 |
| 0.114 | 33.0 | 5016 | 0.1017 |
| 0.114 | 34.0 | 5168 | 0.0922 |
| 0.114 | 35.0 | 5320 | 0.0458 |
| 0.114 | 36.0 | 5472 | 0.1335 |
| 0.1116 | 37.0 | 5624 | 0.0924 |
| 0.1116 | 38.0 | 5776 | 0.0828 |
| 0.1116 | 39.0 | 5928 | 0.0857 |
| 0.1082 | 40.0 | 6080 | 0.0847 |
| 0.1082 | 41.0 | 6232 | 0.0629 |
| 0.1082 | 42.0 | 6384 | 0.0685 |
| 0.11 | 43.0 | 6536 | 0.0918 |
| 0.11 | 44.0 | 6688 | 0.0829 |
| 0.11 | 45.0 | 6840 | 0.1118 |
| 0.11 | 46.0 | 6992 | 0.0561 |
| 0.1041 | 47.0 | 7144 | 0.0834 |
| 0.1041 | 48.0 | 7296 | 0.0940 |
| 0.1041 | 49.0 | 7448 | 0.1024 |
| 0.1103 | 50.0 | 7600 | 0.0809 |
Framework versions
- Transformers 4.35.0
- Pytorch 2.1.0+cu118
- Datasets 2.14.6
- Tokenizers 0.14.1
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Base model
DeepChem/ChemBERTa-77M-MLM