rdkit>=2022.3.3
scikit-learn==0.23.2
gensim==3.8.3
pandas==1.2.1
numpy==1.19.2
mol2vec==0.2.2
nerdd-module>=0.1.9
chembl_structure_pipeline<1.2.0,>=1.0.0
setuptools<60.0

[:python_version < "3.10"]
importlib-resources>=6.1.1

[dev]
mypy
isort
black

[test]
pytest
pytest-watch
pytest-cov
pytest-bdd
hypothesis
hypothesis-rdkit
