Highlights
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torch-dftd Public
Forked from pfnet-research/torch-dftdpytorch implementation of dftd2 & dftd3
Python MIT License UpdatedJul 22, 2024 -
quacc Public
Forked from Quantum-Accelerators/quaccquacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 16, 2024 -
parsl Public
Forked from Parsl/parslParsl - a Python parallel scripting library
Python Apache License 2.0 UpdatedJun 21, 2024 -
mace Public
Forked from ACEsuit/maceMACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Python Other UpdatedMay 24, 2024