MDAnalysis>=2.0.0
hmmlearn==0.3.2
networkx>=3.0.0
numpy<2.0.0,>=1.26.0
scikit-learn>=1.4.0
scipy>=1.13.0

[doc]
sphinx
sphinx_rtd_theme

[test]
pytest>=6.0
pytest-xdist>=2.5
pytest-cov>=3.0
