pandas>=1.1.0
numpy>=1.13.3
scipy>=1.3.0
networkx>=2.5.0
tqdm
multiprocess
dill
psutil
gemmi>=0.7.5

[:python_version < "3.13"]
mdanalysis<3,>=2.2.0

[:python_version >= "3.13"]
mdanalysis<3,>=2.7.0

[plots]
py3Dmol
matplotlib>=3.5

[tutorials]
rdkit>=2022.09.1
matplotlib>=3.7
seaborn<1.0
pyvis
prolif[plots]
