PyPI page
Author:
Kai Riedmiller
Summary:
Hydrogen Atom Transfer Plugin for KIMMDY
Latest version:
1.2.0
Required dependencies:
ase
|
certifi
|
kgcnn
|
kimmdy
|
mdanalysis
|
numpy
|
tensorflow
Optional dependencies:
grappa-ff
|
kimmdy-grappa
|
torch
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