bluedesc-pywrapper>=0.0.6.post1
cdk-pywrapper>=0.1.0
mold2-pywrapper>=0.1.0
padel-pywrapper>=1.0.5
chemopy2>=1.0.5
pandas
rdkit>=2024.3.1
scikit-learn>=1.4.0
papyrus_structure_pipeline>=0.0.5
numpy>=2.0.0

[docs]
sphinx
sphinx-rtd-theme
sphinx-autodoc-typehints

[testing]
pytest
