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PROTAC-Degradation-Predictor / protac_degradation_predictor /pytorch_models.py

Commit History

Fixed bug in studies and retrained models
eaba7e8

ribesstefano commited on

Added PROTAC embedding extraction
fec8df0

ribesstefano commited on

Added confidence scores to reports
a589b70

ribesstefano commited on

Fixed issue with duplicates + Experiments now rely on predefined datasets + Added experiments on simple embeddings
251060c

ribesstefano commited on

Implemented cell lines one-hot and amino acid sequence count experiments
ccc40da

ribesstefano commited on

Started working on cell line one-hot encoding experiments
8aec0bb

ribesstefano commited on

Fixed some tests and added XGBoost to the API
1171189

ribesstefano commited on

Added ablation study with randomly sampled vectors + Started working on LightningDataModule wrapper
4e1d3f6

ribesstefano commited on

Added convincing results
b7582e0

ribesstefano commited on

Added softmax in model + Fixed and updated some hparams + Fixed bug in tanimoto distance (it was treated as similarity)
bda3015

ribesstefano commited on

Added FP search + Added train metrics to logs
fda7af7

ribesstefano commited on

Added LR scheduler + set default sum of embeddings
62ccb16

ribesstefano commited on

Added majority voting evaluation
b86d3ec

ribesstefano commited on

Working loading and predicting with pretrained model + Added scaling in "pure" pytorch during forwarding
15216c3

ribesstefano commited on

Improved logging + current optuna studies
0171744

ribesstefano commited on

Added model tests + checkpointing of the scaler object
de956c8

ribesstefano commited on

Refactored experiments + fixed bug in dataset when applying scaling to val and test sets
6a5a99e

ribesstefano commited on

started testing package code
ea572f9

ribesstefano commited on

Started working on packaging the repository
5e01175

ribesstefano commited on