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mopac Public
Forked from openmopac/mopacMolecular Orbital PACkage
Fortran Apache License 2.0 UpdatedOct 29, 2025 -
pyAutoMR Public
Automatic MR based on PySCF
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pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
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numpy-feedstock Public
Forked from conda-forge/numpy-feedstockA conda-smithy repository for numpy.
Shell BSD 3-Clause "New" or "Revised" License UpdatedSep 10, 2025 -
numpy Public
Forked from numpy/numpyThe fundamental package for scientific computing with Python.
Python Other UpdatedSep 7, 2025 -
ExSCF Public
Spin-projected Unrestricted Hartree-Fock program
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bse-rs Public
Forked from ajz34/bse-rsRe-impl Basis Set Exchange (code part only) in Rust
Rust Apache License 2.0 UpdatedJul 3, 2025 -
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pyscf.github.io Public
Forked from pyscf/pyscf.github.ioPySCF website and documentation
TeX Apache License 2.0 UpdatedMay 7, 2025 -
CompoundScripts Public
Forked from ORCAQuantumChemistry/CompoundScriptsCollection of 'compound scripts' for use with the ORCA quantum chemistry software
Other UpdatedApr 10, 2025 -
A trial to implement doubly-hybrid interface to PySCF
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S-O-MQC-HW Public
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
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pyscf-forge Public
Forked from pyscf/pyscf-forgepyscf-forge is a collection of extensions for pyscf
Python Apache License 2.0 UpdatedJan 7, 2025 -
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pyNOF Public
Natural-orbital Functional based on PySCF
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awesome-qc-courses Public
Quantum Chemistry course resources available on github and other platforms
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Solution_for_Every_Gaussian_Error_Message Public
Forked from liyuanhe211/Solution_for_Every_Gaussian_Error_MessageReliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English translation for a long blog in Chinese I wrote a few years back.
Other UpdatedJun 1, 2023
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