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PROTAC-Degradation-Predictor / notebooks

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History: 35 commits

ribesstefano's picture

Added results with FP normalization removed

d8a186f 9 months ago

README.md

189 Bytes

test commit 10 months ago
ablation_study_e3_ligase.pdf

16.5 kB

Added results with FP normalization removed 9 months ago
ablation_study_random.pdf

16.5 kB

Added best models 10 months ago
ablation_study_tanimoto.pdf

16.5 kB

Added best models 10 months ago
ablation_study_uniprot.pdf

16.5 kB

Added best models 10 months ago
article_scraping.ipynb

534 kB

Introduced CV and ORed activity definition 12 months ago
best_fingerprint_search.ipynb
14.8 kB

Added FP search + Added train metrics to logs 10 months ago
data_curation.ipynb

501 kB

Added IaP to IAP conversion in data curation 10 months ago
plotting_dragradation_activity_performance.ipynb

1.63 MB

Started working on packaging the repository 10 months ago
protac_degradation_predictor.ipynb

4.98 MB

Started working on packaging the repository 10 months ago
protac_degradation_predictor.py

47.7 kB

Started working on packaging the repository 10 months ago
train_val_test_split.pdf

13.9 kB

Added best models 10 months ago