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@OpenChemistry

Open Chemistry

Permissively licensed cross-platform tools that provide applications for computational chemistry, materials science, and related areas.

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  1. avogadrolibs avogadrolibs Public

    Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

    C++ 500 180

  2. tomviz tomviz Public

    Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data

    C++ 328 87

  3. avogadroapp avogadroapp Public

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

    C++ 197 72

  4. chemicaljson chemicaljson Public

    Development of the Chemical JSON data representation

    Python 63 15

Repositories

Showing 10 of 57 repositories
  • avogadroapp Public

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

    OpenChemistry/avogadroapp’s past year of commit activity
    C++ 197 BSD-3-Clause 72 10 (1 issue needs help) 8 Updated Jan 19, 2025
  • avogadrolibs Public

    Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

    OpenChemistry/avogadrolibs’s past year of commit activity
    C++ 500 BSD-3-Clause 180 90 (13 issues need help) 22 Updated Jan 19, 2025
  • stempy Public

    Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/

    OpenChemistry/stempy’s past year of commit activity
    C++ 23 BSD-3-Clause 11 21 5 Updated Jan 17, 2025
  • openchemistry Public

    Supermodule containing submodules and external project to build all components

    OpenChemistry/openchemistry’s past year of commit activity
    CMake 83 BSD-3-Clause 61 4 2 Updated Jan 17, 2025
  • distiller Public
    OpenChemistry/distiller’s past year of commit activity
    Python 5 BSD-3-Clause 2 14 11 Updated Jan 14, 2025
  • fragments Public

    Molecular fragments and inorganic ligands for rapidly building structures

    OpenChemistry/fragments’s past year of commit activity
    Python 8 BSD-3-Clause 4 4 0 Updated Jan 9, 2025
  • molecules Public

    Common molecule fragments for visualization in Avogadro

    OpenChemistry/molecules’s past year of commit activity
    15 BSD-3-Clause 6 0 0 Updated Jan 6, 2025
  • molequeue Public

    Desktop integration of high performance computing resources

    OpenChemistry/molequeue’s past year of commit activity
    C++ 26 BSD-3-Clause 23 5 0 Updated Oct 24, 2024
  • avogenerators Public

    Python input file generators for Avogadro 2

    OpenChemistry/avogenerators’s past year of commit activity
    Python 11 18 1 (1 issue needs help) 0 Updated Jul 5, 2024
  • tomviz Public

    Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data

    OpenChemistry/tomviz’s past year of commit activity
    C++ 328 BSD-3-Clause 87 127 10 Updated Jun 28, 2024
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