rdkit>=2023.03.1
pubchempy>=1.0.4
pandas>=1.5.0
chembl_webresource_client>=0.10.8
scikit-learn>=1.0.0
click>=8.0.0

[dev]
pytest>=7.0
black>=23.0.0
isort>=5.10.0
flake8>=6.0.0
mypy>=1.0.0
pandas-stubs
build
twine
