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pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedJun 10, 2026 -
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pysisyphus Public
Forked from deepprinciple/pysisyphusPython suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Python GNU General Public License v3.0 UpdatedOct 15, 2025 -
libxc_wxj6000 Public
Forked from wxj6000/libxcFork from https://gitlab.com/libxc/libxc
C Mozilla Public License 2.0 UpdatedAug 23, 2025 -
PBCNonOrbital Public
Forked from mtzgroup/PBCNonOrbitalEnergies and derivatives for nuclear repulsion and Becke weight with PBCs
C++ UpdatedMar 8, 2025 -
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