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Author:
Pavlo O. Dral
License:
Apache-2.0
Summary:
A Package for AI-enhanced computational chemistry
Latest version:
3.25.5
Required dependencies:
fortranformat
|
geometric
|
h5py
|
joblib
|
matplotlib
|
numpy
|
psutil
|
pyh5md
|
requests
|
rmsd
|
scipy
|
setuptools
|
statsmodels
|
torch
|
torchani
|
tqdm
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