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Author:
None
License:
Modified BSD
Summary:
Pretrained Universal Neural Network Potential for Charge-informed Atomistic Modeling
Latest version:
0.4.0
Required dependencies:
ase
|
cython
|
numpy
|
nvidia-ml-py3
|
pymatgen
|
torch
|
typing-extensions
Optional dependencies:
crystal-toolkit
|
dftd4
|
lazydocs
|
pandas
|
pytest
|
pytest-cov
|
torch-dftd
|
wandb
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