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ExSCF Public
Spin-projected Unrestricted Hartree-Fock program
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properties Public
Forked from pyscf/propertiesMolecular and crystal electromagnetic properties
Python Apache License 2.0 UpdatedMar 26, 2026 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
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numpy Public
Forked from numpy/numpyThe fundamental package for scientific computing with Python.
Python Other UpdatedMar 6, 2026 -
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ZotMeta Public
Forked from RoadToDream/ZotMetaZotMeta is a Zotero plugin to update existing articles/books metadata.
JavaScript MIT License UpdatedFeb 27, 2026 -
pyscf-forge Public
Forked from pyscf/pyscf-forgepyscf-forge is a collection of extensions for pyscf
Python Apache License 2.0 UpdatedFeb 12, 2026 -
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pyAutoMR Public
Automatic MR based on PySCF
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mopac Public
Forked from openmopac/mopacMolecular Orbital PACkage
Fortran Apache License 2.0 UpdatedOct 29, 2025 -
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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 -
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bse-rs Public
Forked from RESTGroup/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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