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mace
mace PublicForked from ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Python 2
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MOF_flexconduct_supp
MOF_flexconduct_supp PublicSupplementary data files for "Tunable Conductivity of Flexible Metal–Organic Frameworks" by Chong, Rogge and Kim (2022)
Python 1
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scikit-matter
scikit-matter PublicForked from scikit-learn-contrib/scikit-matter
A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
Python
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schnetpack
schnetpack PublicForked from atomistic-machine-learning/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Python
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