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@psi4

psi4

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  1. psi4 psi4 Public

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

    C++ 1.2k 510

  2. psi4numpy psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 399 171

  3. psi1 psi1 Public

    The original Psi 1.0 release from the 1980s.

  4. psicode-hugo-website psicode-hugo-website Public

    Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)

    HTML 1 14

Repositories

Showing 10 of 28 repositories
  • psi4 Public

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

    psi4/psi4's past year of commit activity
    C++ 1,217 LGPL-3.0 510 379 114 Updated Aug 30, 2026
  • psi4docs Public

    built Sphinx html documentation for Psi4

    psi4/psi4docs's past year of commit activity
    HTML 1 0 0 5 Updated Aug 29, 2026
  • psi4dashboard Public

    regression testing data and display

    psi4/psi4dashboard's past year of commit activity
    Python 1 CC0-1.0 2 0 0 Updated Jul 20, 2026
  • psi4dashboard-data Public

    data for the psi4 dashboard

    psi4/psi4dashboard-data's past year of commit activity
    Python 0 CC0-1.0 1 0 0 Updated Jul 2, 2026
  • psicode-hugo-website Public

    Psi4 user website psicode.org (was https://admiring-tesla-08529a.netlify.com/)

    psi4/psicode-hugo-website's past year of commit activity
    HTML 1 14 0 1 Updated Jun 30, 2026
  • psi4meta Public

    tools for managing Psi4

    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++ 2 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 2 0 Updated Apr 11, 2025
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