├── .gitignore ├── .vscode └── settings.json ├── LICENSE ├── README.md ├── chembl_benchmark ├── 1_subset.py ├── 2_to_fingerprint.py ├── 3_sorted_lists.py └── 4_recovery.py ├── drugbank.smi ├── fps.dat ├── mhfp ├── __init__.py ├── encoder.py └── lsh_forest.py ├── setup.py ├── test.py └── test ├── drugbank.smi ├── sars-cov-2_search_chembl.csv ├── test_encoder.py ├── test_lsh_forest.py └── test_lsh_forest_helper.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/reymond-group/mhfp/HEAD/.gitignore -------------------------------------------------------------------------------- /.vscode/settings.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/reymond-group/mhfp/HEAD/.vscode/settings.json -------------------------------------------------------------------------------- /LICENSE: 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