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mace_fork Public
Forked from ACEsuit/maceMACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Python Other UpdatedOct 9, 2024 -
atomate2 Public
Forked from materialsproject/atomate2atomate2 is a library of computational materials science workflows
Python Other UpdatedNov 23, 2023 -
LobsterPy Public
Forked from JaGeo/LobsterPyPackage to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
Python BSD 3-Clause "New" or "Revised" License UpdatedOct 16, 2023 -