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--- |
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license: mit |
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language: |
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- en |
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library_name: peft |
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tags: |
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- ESM-2 |
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- Proteins |
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- Binding Sites |
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- QLoRA |
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- biology |
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--- |
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# ESM-2 QLoRA for Predicting Binding Sites |
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## QLoRA Info |
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``` |
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trainable params: 208322 || all params: 17382365 || trainable%: 1.198467527289871 |
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``` |
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## Testing for Overfitting |
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```python |
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Train metrics: |
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{'eval_loss': 0.09572703391313553, |
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'eval_accuracy': 0.9670769479865963, |
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'eval_precision': 0.3970221190232079, |
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'eval_recall': 0.9411011487595375, |
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'eval_f1': 0.5584507515735834, |
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'eval_auc': 0.9543828770020467, |
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'eval_mcc': 0.5996252550053665} |
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Test metrics: |
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{'eval_loss': 0.1680256575345993, |
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'eval_accuracy': 0.943313091525589, |
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'eval_precision': 0.2342637814982173, |
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'eval_recall': 0.7618306193745306, |
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'eval_f1': 0.35833816875074714, |
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'eval_auc': 0.8544971814140561, |
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'eval_mcc': 0.40290081143832884} |
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``` |
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The metrics on the PDB datasets from [this paper](https://github.com/hamzagamouh/pt-lm-gnn) can be |
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[found here](https://huggingface.co/AmelieSchreiber/esmt12_35M_qlora_binding_sites_v0/blob/main/pdb_structure_metrics.txt). |
