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Latest version:
1.0.8
Required dependencies:
ase
|
babel
|
beautifulsoup4
|
biopandas
|
biopython
|
bioservices
|
botorch
|
cpdb-protein
|
dftd3
|
dill
|
gauche
|
geometric
|
git-lfs
|
gpytorch
|
grakel
|
graphein
|
gudhi
|
jax
|
jaxlib
|
matplotlib
|
monty
|
mpmath
|
networkx
|
numpy
|
pandas
|
periodictable
|
pillow
|
plotly
|
pymatgen
|
pyro-api
|
pyro-ppl
|
pyscf
|
rdkit
|
scikit-learn
|
scipy
|
seaborn
|
selfies
|
sympy
|
toponetx
|
torch
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