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License:
Modified BSD
Summary:
Pretrained Universal Neural Network Potential for Charge-informed Atomistic Modeling
Latest version:
0.3.5
Required dependencies:
ase
|
cython
|
numpy
|
nvidia-ml-py3
|
pymatgen
|
torch
Optional dependencies:
crystal-toolkit
|
lazydocs
|
pandas
|
pytest
|
pytest-cov
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