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Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++
1.2k
521
Combining Psi4 and Numpy for education and development.
Jupyter Notebook
406
170
The original Psi 1.0 release from the 1980s.
Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)
HTML
1
14
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Showing 10 of 28 repositories
psi4docs
Public
built Sphinx html documentation for Psi4
psi4/psi4docs's past year of commit activity
HTML
1
1
0
5
Updated Nov 8, 2026
psi4
Public
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4/psi4's past year of commit activity
psi4/psi4dashboard's past year of commit activity
Python
1
CC0-1.0
2
0
0
Updated Jul 20, 2026
psi4/psi4dashboard-data's past year of commit activity
Python
0
CC0-1.0
1
0
0
Updated Jul 2, 2026
psi4/psicode-hugo-website's past year of commit activity
HTML
1
14
0
1
Updated Jun 30, 2026
psi4/psi4meta's past year of commit activity
Shell
7
GPL-2.0
6
0
0
Updated Jun 30, 2026
gau2grid
Public
Fast computation of a gaussian and its derivative on a grid.
psi4/gau2grid's past year of commit activity
Python
32
BSD-3-Clause
21
4
1
Updated May 20, 2026
psi3
Public
Psi3 source code.
psi4/psi3's past year of commit activity
C++
3
GPL-2.0
4
0
0
Updated Nov 10, 2025
sphinx-psi-theme
Public
Sphinx theme (extension to cloud) for Psi4 documentation
psi4/sphinx-psi-theme's past year of commit activity
Python
0
LGPL-3.0
0
0
1
Updated Jun 20, 2025
gdma
Public
Anthony Stone's Gaussian Distributed Multipole Analysis wrapped in CMake
psi4/gdma's past year of commit activity
Fortran
6
GPL-2.0
1
3
0
Updated Apr 11, 2025
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