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LobsterPy
LobsterPy PublicForked from JaGeo/LobsterPy
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
Python
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atomate2
atomate2 PublicForked from materialsproject/atomate2
atomate2 is a library of computational materials science workflows
Python
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mace_fork
mace_fork PublicForked from ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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