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PROTAC-Degradation-Predictor / notebooks /protac_degradation_predictor.py

Commit History

Started working on packaging the repository
5e01175

ribesstefano commited on

Started working on optuna-based sklearn models training
f9a730b

ribesstefano commited on

Added save and restore of Optuna studies
dafeec2

ribesstefano commited on

Fixed verbose on earlystopping and added results
8cfcefe

ribesstefano commited on

Finalized predictor script
ab45a22

ribesstefano commited on

Polished hparam code and added ablation studies
91692a4

ribesstefano commited on

Added "Active-OR" report and modified report name
0c6f1b3

ribesstefano commited on

Added chirality to Morgan FP and improved logging
d6ec1f3

ribesstefano commited on

Polished scripted version of Hparam-CV training
d36ec1d

ribesstefano commited on

Added SMOTE k neighbors to hparam search
7e4c438

ribesstefano commited on

Added script file for hparam CV training
b09510c

ribesstefano commited on