pydantic>=2
pandas
biopython>=1.8
scipy
pyyaml

[build]
twine
build

[docs]
sphinx>=8.2.0
sphinxcontrib-napoleon>=0.7
sphinx_rtd_theme>=3.0.0
sphinxcontrib-bibtex>=2.6.0

[render]
nglview>=4.0
notebook>=7.0.0

[test]
pytest>=8.4.0
