mdtraj>=1.9.9
numpy>=1.24
networkx>=3.1
scikit-learn>=1.3
hdbscan>=0.8.33
matplotlib>=3.7

[all]
protkit[ml]
protkit[dev]

[dev]
pytest>=7.4
pytest-cov
black
ruff
build
twine

[ml]
torch>=2.0
fair-esm>=2.0.0
