numpy==1.20.3
scipy==1.6.2
numba-scipy==0.3.0
cclib==1.7
periodictable==1.6.0
matplotlib==3.4.2
networkx==2.5.1
rmsd==1.4
ase==3.21.1
sella==1.0.0
sklearn
scikit-learn==1.0.1
numba==0.54.1
prettytable==3.3.0
