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nwchem Public
Forked from nwchemgit/nwchemNWChem: Open Source High-Performance Computational Chemistry
Fortran Other UpdatedJan 18, 2025 -
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedJan 18, 2025 -
Quantum chemistry and solid state physics software package
Fortran GNU General Public License v2.0 UpdatedJan 18, 2025 -
julia Public
Forked from JuliaLang/juliaThe Julia Programming Language
Julia MIT License UpdatedJan 18, 2025 -
MOKIT Public
Forked from 1234zou/MOKITOrbital transfer and automatic multi-reference calculation for quantum chemistry
Fortran Apache License 2.0 UpdatedJan 18, 2025 -
abacus-develop Public
Forked from deepmodeling/abacus-developAn electronic structure package based on either plane wave basis or numerical atomic orbitals.
C++ GNU Lesser General Public License v3.0 UpdatedJan 18, 2025 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedJan 18, 2025 -
xtb Public
Forked from grimme-lab/xtbSemiempirical Extended Tight-Binding Program Package
Fortran GNU Lesser General Public License v3.0 UpdatedJan 3, 2025 -
learnGitBranching Public
Forked from pcottle/learnGitBranchingAn interactive git visualization and tutorial. Aspiring students of git can use this app to educate and challenge themselves towards mastery of git!
JavaScript MIT License UpdatedDec 19, 2024 -
The-Art-of-Linear-Algebra Public
Forked from kenjihiranabe/The-Art-of-Linear-AlgebraGraphic notes on Gilbert Strang's "Linear Algebra for Everyone"
PostScript Creative Commons Zero v1.0 Universal UpdatedDec 19, 2024 -
free-programming-books Public
Forked from EbookFoundation/free-programming-books📚 Freely available programming books
HTML Creative Commons Attribution 4.0 International UpdatedDec 19, 2024 -
basis_set_exchange Public
Forked from MolSSI-BSE/basis_set_exchangeA repository for quantum chemistry basis sets
Python BSD 3-Clause "New" or "Revised" License UpdatedDec 19, 2024 -
libsdp Public
Forked from edeprince3/libsdpC++ GNU General Public License v3.0 UpdatedDec 17, 2024 -
geomeTRIC Public
Forked from leeping/geomeTRICGeometry optimization code that includes the TRIC coordinate system
Python Other UpdatedDec 2, 2024 -
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Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
Fortran GNU General Public License v2.0 UpdatedNov 14, 2024 -
libint Public
Forked from evaleev/libintLibint: high-performance library for computing Gaussian integrals in quantum mechanics
C++ Other UpdatedNov 14, 2024 -
MQC Public
(just a demo now)An open-source package based on ab-initio Quantum Chemistry methods.
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libcint Public
Forked from sunqm/libcintgeneral GTO integrals for quantum chemistry
C Apache License 2.0 UpdatedSep 7, 2024 -
hilbert Public
Forked from edeprince3/hilbertC++ GNU General Public License v3.0 UpdatedAug 30, 2024 -
Python-algorithms Public
Forked from TheAlgorithms/PythonAll Algorithms implemented in Python
Python MIT License UpdatedMay 15, 2024 -
awesome-python-chemistry Public
Forked from lmmentel/awesome-python-chemistryA curated list of Python packages related to chemistry
Other UpdatedMar 25, 2024 -
awesome-qc-courses Public
Forked from jeanwsr/awesome-qc-coursesQuantum Chemistry course resources available on github and other platforms
Python UpdatedFeb 1, 2024 -
free-programming-books-zh_CN Public
Forked from justjavac/free-programming-books-zh_CN📚 免费的计算机编程类中文书籍，欢迎投稿
GNU General Public License v3.0 UpdatedFeb 1, 2024 -
QuantumChemistryCpp Public
Forked from rudin-jiang/QuantumChemistryCppA tutorial for beginners to write quantum chemistry programs with cpp.
C++ UpdatedJan 26, 2024 -
QuantumFoca.jl Public
Forked from Leticia-maria/QuantumFoca.jlA repository for calculating Molecular Integrals, based on O-ohata method (1966).
Julia MIT License UpdatedSep 21, 2023 -
Hartree-Fock-in-CPP Public
Forked from Walter-Feng/Hartree-Fock-in-CPPHartree-Fock code written in full C++ standard
C++ MIT License UpdatedApr 19, 2023 -
ProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
UpdatedDec 30, 2022 -
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pyberny Public
Forked from jhrmnn/pybernyMolecular structure optimizer
Python Mozilla Public License 2.0 UpdatedDec 17, 2022