pandas>=2.0.0
numpy>=1.21.0
matplotlib>=3.4.0
seaborn>=0.11.0
pyyaml>=5.4.0
rdkit>=2022.3.0
datamol>=0.8.0
medchem>=0.1.0
rich>=13.0.0
typer>=0.9.0
syba
jinja2>=3.0.0
plotly>=5.0.0
prolif>=2.1.0
xgboost>=2

[:python_full_version >= "3.11"]
posecheck-fast>=0.1.6

[docking-legacy]
posecheck>=1.3.1

[lint]
ruff
mypy
pyright

[shepherd]
shepherd-score>=1.2.1

[test]
pytest
pytest-cov
