Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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Dependencies
- chembl-structure-pipeline <1.2.0,>=1.0.0
- gensim ==3.8.3
-
importlib-resources
>=6.1.1
python_version < "3.10"
- mol2vec ==0.2.2
- nerdd-module >=0.1.9
- numpy ==1.19.2
- pandas ==1.2.1
- rdkit >=2022.3.3
- scikit-learn ==0.23.2
- setuptools <60.0
9 optional dependencies
-
black[dev]extra == "dev"
-
hypothesis[test]extra == "test"
-
hypothesis-rdkit[test]extra == "test"
-
isort[dev]extra == "dev"
-
mypy[dev]extra == "dev"
-
pytest[test]extra == "test"
-
pytest-bdd[test]extra == "test"
-
pytest-cov[test]extra == "test"
-
pytest-watch[test]extra == "test"