dynaconf
hdbscan>=0.8.29
joblib
networkx
numpy
pandas
pydantic<2,>=1
pydot
pyyaml
requests
rdchiral
rdkit>=2022.3
scikit-learn

[dev]
bumpver
flake8==6.0.0
isort==5.12.0
pre-commit==3.2.*
pytest-cov
pytest
sphinx
