MANIFEST.in
README.md
pyproject.toml
ils_screening_tm/__init__.py
ils_screening_tm/main.py
ils_screening_tm/screening_pipeline.py
ils_screening_tm.egg-info/PKG-INFO
ils_screening_tm.egg-info/SOURCES.txt
ils_screening_tm.egg-info/dependency_links.txt
ils_screening_tm.egg-info/requires.txt
ils_screening_tm.egg-info/top_level.txt
ils_screening_tm/Display/__init__.py
ils_screening_tm/Display/display.py
ils_screening_tm/Generation/__init__.py
ils_screening_tm/Generation/generation.py
ils_screening_tm/Prediction_tm/__init__.py
ils_screening_tm/Prediction_tm/prediction_tm.py
ils_screening_tm/SAScore/__init__.py
ils_screening_tm/SAScore/sascore.py
ils_screening_tm/database/anions_library.csv
ils_screening_tm/database/base_cations.csv
ils_screening_tm/database/substituents_library.csv
ils_screening_tm/models/for-external.pkl
ils_screening_tm/models/pscnn_fold_1.keras
ils_screening_tm/models/pscnn_fold_2.keras
ils_screening_tm/models/pscnn_fold_3.keras
ils_screening_tm/models/pscnn_fold_4.keras
ils_screening_tm/models/pscnn_fold_5.keras
ils_screening_tm/models/scaler_mordred.pkl