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PROTAC-Degradation-Predictor

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PROTAC-Degradation-Predictor / reports

Commit History

Added XGBoost majority vote performances

a8d1800

ribesstefano commited on May 31

Added notebook on cell embeddings generation + Added XGBoost reports

8315295

ribesstefano commited on May 29

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

33f1644

ribesstefano commited on May 29

Added results with FP normalization removed

d8a186f

ribesstefano commited on May 27

Added best models

2397842

ribesstefano commited on May 2

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

48aea13

ribesstefano commited on Apr 30

Added convincing results

b7582e0

ribesstefano commited on Apr 29

Pushing current results

9692a92

ribesstefano commited on Apr 26

Improved logging + current optuna studies

0171744

ribesstefano commited on Apr 24

Started working on packaging the repository

5e01175

ribesstefano commited on Apr 22

Updated 10% test with fixed Tanimoto-based split

6101de8

ribesstefano commited on Apr 21

Updated reports with ablation studies w/out E3

b496192

ribesstefano commited on Apr 21

Added save and restore of Optuna studies

dafeec2

ribesstefano commited on Apr 8

Updated eports

6f31d02

ribesstefano commited on Apr 7

Fixed reporting

9fc7496

ribesstefano commited on Apr 7

Fixed verbose on earlystopping and added results

8cfcefe

ribesstefano commited on Apr 6

Added CV hparam train with 512bit fingerprints

00f11cc

ribesstefano commited on Mar 21

Added CV hparam training with dropout included

4154723

ribesstefano commited on Mar 20

Updated CV hparam training report with remaining ablation studies

ecae250

ribesstefano commited on Mar 19

Uploading CV hparam training and ablation study results

03abf18

ribesstefano commited on Mar 18

Added report for CV-hparam "Active - AND"

022416b

ribesstefano commited on Mar 13

Added "Active-OR" report and modified report name

0c6f1b3

ribesstefano commited on Mar 13

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

87b14e7

ribesstefano commited on Mar 12

Normalized some metrics in CV results

b2864fc

ribesstefano commited on Feb 23

Polished CV traning code and added CV report

1b2eb07

ribesstefano commited on Feb 23