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mace
mace PublicForked from ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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PyXtal
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A code to generate atomic structure with symmetry
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openmmtools
openmmtools PublicForked from choderalab/openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
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- mace Public Forked from ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
8000Angstrom-AI/mace’s past year of commit activity - openmmtools Public Forked from choderalab/openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Angstrom-AI/openmmtools’s past year of commit activity
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