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Author:
Anakuthil Anoop
Summary:
PyAR: Python program for Aggregation and Reaction
Latest version:
1.5.1
Required dependencies:
autograd
|
networkx
|
numpy
|
scipy
|
tomli
Optional dependencies:
ase
|
build
|
dscribe
|
geodesic-interpolate
|
geometric
|
h5py
|
hdbscan
|
irmsd
|
matplotlib
|
mdanalysis
|
mlatom
|
openbabel
|
pandas
|
pyh5md
|
pytest
|
pytest-cov
|
rdkit
|
scikit-learn
|
sella
|
sphinx
|
sphinx-rtd-theme
|
torch
|
torchani
|
twine
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