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my-pyscf Public
Exact speedups of PySCF and GPU4PySCF: notes, benchmark harness and build scripts
Python UpdatedNov 8, 2026 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedNov 8, 2026 -
qcint Public
Forked from sunqm/qcintAn optimized libcint branch for X86 architecture
C GNU General Public License v3.0 UpdatedNov 7, 2026 -
gpu4pyscf Public
Forked from pyscf/gpu4pyscfA plugin to use Nvidia GPU in PySCF package
Cuda Apache License 2.0 UpdatedNov 4, 2026 -
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EmbeddingIntegralGenerator-pyscf Public
Forked from EACcodes/EmbeddingIntegralGeneratorGenerator of embedding integrals in different formats.
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Ryven Public
Forked from leon-thomm/RyvenFlow-based visual scripting for Python
Python MIT License UpdatedJul 6, 2026 -
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moltui Public
Forked from kszenes/moltuiA Terminal Molecular Viewer Based on Unicode
Python MIT License UpdatedApr 23, 2026 -
etsy2pinterestconverter Public
Program for converting etsy listing downloads into bulk publishable pins for pintrest
Python UpdatedFeb 20, 2026 -
pyAroma Public
Forked from Leticia-maria/pyAromaAn aromaticity analyzer.
Python GNU General Public License v3.0 UpdatedOct 9, 2025 -
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Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedApr 19, 2019 -
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PassDatClass Public
Forked from zapzip2013/PassDatClassSoftware Engineering project
Swift Apache License 2.0 UpdatedApr 9, 2018
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