dynaconf
hdbscan>=0.8.29
joblib
networkx
numpy
pandas
pydantic
pydot
pyyaml
requests
rdchiral
rdkit>=2023.9
scikit-learn

[dev]
bumpver
flake8==6.0.0
isort==5.12.0
black==23.9.1
pre-commit==3.2.*
pytest-cov
pytest
sphinx
pytest-mock
