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PROTAC-Degradation-Predictor / src /run_experiments.py

Commit History

Updated README

f3d4b52

ribesstefano commited on Jun 7, 2024

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

4e1d3f6

ribesstefano commited on May 2, 2024

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

bda3015

ribesstefano commited on Apr 29, 2024

Added LR scheduler + set default sum of embeddings

62ccb16

ribesstefano commited on Apr 28, 2024

Added majority voting evaluation

b86d3ec

ribesstefano commited on Apr 26, 2024

Improved logging + current optuna studies

0171744

ribesstefano commited on Apr 24, 2024

Added model tests + checkpointing of the scaler object

de956c8

ribesstefano commited on Apr 24, 2024

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

6a5a99e

ribesstefano commited on Apr 23, 2024

Updated protac dataset to handle missing values in embedding dictionaries

4d17fea

ribesstefano commited on Apr 23, 2024

refactored package code and fine running experimental code

165d38a

ribesstefano commited on Apr 23, 2024