numpy>=1.21.0
biopython>=1.80
networkx>=2.0
GridDataFormats>=0.4.0
mmtf-python>=1.0.0
joblib>=0.12
scipy>=1.5.0
matplotlib>=1.5.1
tqdm>=4.43.0
threadpoolctl
packaging
fasteners
gsd>=1.9.3

[analysis]
seaborn
scikit-learn
tidynamics>=1.0.0

[doc]
sphinx
sphinx-sitemap
sphinx_rtd_theme
msmb_theme==1.2.0
sphinxcontrib-bibtex
pybtex
pybtex-docutils

[extra_formats]
netCDF4>=1.0
h5py>=2.10
pytng>=0.2.3
chemfiles>=0.10
pyedr>=0.7.0
