PyYAML
pandas
progress
ase
numpy
cclib
matplotlib
seaborn
cffi
torch
torchvision
torchani
PyYAML>=5.3
pandas>=1.0.3
progress>=1.5
ase>=3.19.1
numpy>=1.18.4
cclib>=1.6.3
matplotlib>=3.2.2
seaborn>=0.10.1
torch>=1.5.0+cpu
torchvision>=0.6.0+cpu
torchani>=2.2