ESMBind (ESMB) for Protein Binding Sites
Collection
ESMBind (or ESMB) are LoRA finetuned ESM-2 models for predicting general binding sites and active sites of proteins based on sequence alone. • 14 items • Updated • 5
This model is a full finetune of ESM-2, to illustrate how full finetuning overfits and generalizes quite poorly compared to LoRA and QLoRA finetuning. This model was finetuned on the 600K dataset. We also note that on the 24GB A10 GPU, the batch size has to be significantly smaller than when using LoRA or QLoRA. To finetune a similar model, use this script.
Train metrics:
{'eval_loss': 0.13651661574840546,
'eval_accuracy': 0.9656322509450104,
'eval_precision': 0.38616650354104665,
'eval_recall': 0.9618091516702236,
'eval_f1': 0.55107594226701,
'eval_auc': 0.9637635647574605,
'eval_mcc': 0.5977943918337999}
Test metrics:
{'eval_loss': 0.2910114824771881,
'eval_accuracy': 0.923270649115702,
'eval_precision': 0.14887069127765168,
'eval_recall': 0.533511928419524,
'eval_f1': 0.23278520670392827,
'eval_auc': 0.7327381144575454,
'eval_mcc': 0.25329082069818704}