Project Name	Stars	Packages Using This	Most Recent Commit	Total Releases	Latest Release	Open Issues	License	Language
Psi4	875		4 months ago			378	lgpl-3.0	C++
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Cp2k	722		3 months ago	4	March 14, 2022	105	gpl-2.0	Fortran
Quantum chemistry and solid state physics software package
Computationalphysics2	143		3 months ago			5	cc0-1.0
Advanced course in Computational Physics, see texbook at http://compphysics.github.io/ComputationalPhysics2/doc/LectureNotes/_build/html/ with an emphasis on computational quantum mechanics, machine learning and quantum computing.
Fermi.jl	92		2 years ago			14	mit	Julia
Fermi quantum chemistry program
Hartreefock	41		9 months ago			12	gpl-3.0	C++
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
Symmer	35		4 months ago			4	mit	Python
An efficient Python-based framework for implementing qubit subspace methods, reducing the resource requirements for near-term quantum simulations.
Soaplite	31	1	5 years ago	27	April 03, 2019		lgpl-3.0	C
Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.
Scialgs.jl	24		2 years ago				agpl-3.0	Jupyter Notebook
Fundamental scientific algorithms in Julia
Spicyphysics	23		6 months ago				gpl-3.0	TeX
Sup bois, here's my work
Cmlkit	21	1	2 years ago	25	March 25, 2022	6	mit	Python
tools for machine learning in condensed matter physics and quantum chemistry

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Psi4 ⭐ 875

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

most recent commit 4 months ago

Cp2k ⭐ 722

Quantum chemistry and solid state physics software package

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Sup bois, here's my work

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Cmlkit ⭐ 21

tools for machine learning in condensed matter physics and quantum chemistry

dependent packages 1total releases 25most recent commit 2 years ago

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