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PROTAC-Degradation-Predictor / reports

Commit History

Added experimental results on simple embeddings (one-hot cells and amino acid counts)
14c7b13

ribesstefano commited on

Added XGBoost majority vote performances
a8d1800

ribesstefano commited on

Added notebook on cell embeddings generation + Added XGBoost reports
8315295

ribesstefano commited on

Added XGBoost Optuna training + Added Ablation studies with zeroed input vectors
33f1644

ribesstefano commited on

Added results with FP normalization removed
d8a186f

ribesstefano commited on

Added convincing results (really, before it was a fast_dev_run)
48aea13

ribesstefano commited on

Added convincing results
b7582e0

ribesstefano commited on

Pushing current results
9692a92

ribesstefano commited on

Improved logging + current optuna studies
0171744

ribesstefano commited on

Started working on packaging the repository
5e01175

ribesstefano commited on

Updated 10% test with fixed Tanimoto-based split
6101de8

ribesstefano commited on

Updated reports with ablation studies w/out E3
b496192

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

Added CV hparam train with 512bit fingerprints
00f11cc

ribesstefano commited on

Added CV hparam training with dropout included
4154723

ribesstefano commited on

Updated CV hparam training report with remaining ablation studies
ecae250

ribesstefano commited on

Uploading CV hparam training and ablation study results
03abf18

ribesstefano commited on

Added report for CV-hparam "Active - AND"
022416b

ribesstefano commited on

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

ribesstefano commited on

Added report on Hparam-CV for "Active - OR"
87b14e7

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