numpy<1.17,>=1.13.3
biopython<1.77,>=1.71
networkx>=1.0
GridDataFormats>=0.4.0
six>=1.4.0
mmtf-python>=1.0.0
joblib<0.15.0,>=0.12
scipy>=1.0.0
matplotlib>=1.5.1
mock
tqdm>=4.43.0
funcsigs
gsd>=1.4.0

[AMBER]
netCDF4>=1.0

[analysis]
seaborn
sklearn
