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/Models/__init__.py
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
ils_screening_tm/data/__init__.py
ils_screening_tm/data/anions_library.csv
ils_screening_tm/data/base_cations.csv
ils_screening_tm/data/substituents_library.csv