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Author:
Guobin Zhao
License:
MIT
Summary:
Partial Atomic Charges for Porous Materials based on Graph Convolutional Neural Network (PACMAN)
Latest version:
1.4.2
Required dependencies:
ase
|
joblib
|
numpy
|
pandas
|
pycifrw
|
pymatgen
|
requests
|
scikit-learn
|
torch
|
tqdm
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