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glotzerlab/hoomd-blue
glotzerlab/hoomd-blue PublicMolecular dynamics and Monte Carlo soft matter simulation on GPUs.
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mlp_crystal_classifier
mlp_crystal_classifier PublicSource code of the paper "Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation."
Jupyter Notebook
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chimes_lsq_myfork
chimes_lsq_myfork PublicForked from rk-lindsey/chimes_lsq
Tools to develop ChIMES parameter sets
DIGITAL Command Language
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