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Author:
Joseph Hart
Summary:
CUDA-accelerated radial distribution functions with NVIDIA ALCHEMI Toolkit-Ops neighbor lists and PyTorch.
Latest version:
0.5.4
Required dependencies:
ase
|
matplotlib
|
mdanalysis
|
numpy
|
nvalchemi-toolkit-ops
|
torch
Optional dependencies:
myst-parser
|
pytest
|
sphinx
|
sphinx-rtd-theme
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