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PROTAC-Degradation-Predictor / notebooks /protac_degradation_predictor.ipynb

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 notebook on predicting degradation with sklearn models
f258949

ribesstefano commited on

Added scaling to the dataset and concatenation at the beginning of the model
acd572a

ribesstefano commited on

Added chirality to Morgan FP and improved logging
d6ec1f3

ribesstefano commited on

Added script file for hparam CV training
b09510c

ribesstefano commited on

Introduced CV and ORed activity definition
5c27a23

ribesstefano commited on

Initial work on retrieving article information
c3ef58b

ribesstefano commited on

Improved CV plotting
dcdef98

ribesstefano commited on

Normalized some metrics in CV results
b2864fc

ribesstefano commited on

Polished CV traning code and added CV report
1b2eb07

ribesstefano commited on

Written CV training code
b276805

ribesstefano commited on

Polished CV folds plotting
f595672

ribesstefano commited on

Added PCA and improved CV
66f3242

ribesstefano commited on

Fixed typo in a path
9e1547d

ribesstefano commited on

Renamed data files and notebooks accordingly
cfa31cd

ribesstefano commited on

Add files via upload
63b87d8
unverified

ribesstefano commited on