Fixed predictions moving to CPU from GPU in package code 8d92d67 ribesstefano commited on Jun 7, 2024
Fixed bug when loading cell2embeddings from wrong directory 9bd496b ribesstefano commited on Jun 7, 2024
Added notebook on cell embeddings generation + Added XGBoost reports 8315295 ribesstefano commited on May 29, 2024
Added XGBoost Optuna training + Added Ablation studies with zeroed input vectors 33f1644 ribesstefano commited on May 29, 2024
Added ablation study with randomly sampled vectors + Started working on LightningDataModule wrapper 4e1d3f6 ribesstefano commited on May 2, 2024
Added convincing results (really, before it was a fast_dev_run) 48aea13 ribesstefano commited on Apr 30, 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
Working loading and predicting with pretrained model + Added scaling in "pure" pytorch during forwarding 15216c3 ribesstefano commited on Apr 25, 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
Started working on optuna-based sklearn models training f9a730b ribesstefano commited on Apr 21, 2024
Added notebook on predicting degradation with sklearn models f258949 ribesstefano commited on Apr 21, 2024
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