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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
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torch-dftd
torch-dftd PublicForked from pfnet-research/torch-dftd
pytorch implementation of dftd2 & dftd3
Python
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quacc
quacc PublicForked from Quantum-Accelerators/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Python
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