@OpenChemistry

Open Chemistry

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

Pinned repositories

  1. tomviz

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

    C++ 151 46

  2. avogadrolibs

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

    C++ 56 36

  3. avogadroapp

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

    C++ 33 16

  4. molequeue

    Desktop integration of high performance computing resources

    C++ 9 13

  5. chemicaljson

    Development of the Chemical JSON data representation

    11 4

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

    C++ 56 36 17 issues need help Updated Aug 18, 2018
  • A platform for the ingestion and management of experimental data.

    JavaScript BSD-3-Clause Updated Aug 17, 2018
  • An information portal for 3D atomic electron tomography data

    JavaScript 1 1 BSD-3-Clause Updated Aug 17, 2018
  • Server code for MongoChem chemical data

    Jupyter Notebook 6 3 BSD-3-Clause Updated Aug 17, 2018
  • Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data

    C++ 151 46 BSD-3-Clause Updated Aug 16, 2018
  • Web components supporting the Open Chemistry project

    TypeScript 3 2 BSD-3-Clause Updated Aug 14, 2018
  • TypeScript 1 1 Updated Aug 13, 2018
  • Supermodule containing submodules and external project to build all components

    CMake 41 26 Updated Aug 12, 2018
  • Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

    C++ 33 16 Updated Aug 12, 2018
  • Scripts to install/deploy the MongoChem server/web client

    Python 1 2 BSD-3-Clause Updated Aug 10, 2018
  • Web client code for the MongoChem project

    JavaScript 6 5 BSD-3-Clause Updated Aug 9, 2018
  • Repository for support data used by the Open Chemistry projects (including Avogadro 2)

    Shell 2 5 Updated Aug 7, 2018
  • Python 1 Updated Aug 7, 2018
  • Superbuild to make packaging simpler for Tomviz

    Shell 4 8 BSD-3-Clause Updated Aug 1, 2018
  • Materials for the 2018 Avogadro Users Group Meeting

    Python BSD-3-Clause Updated Jul 29, 2018
  • Python input file generators for Avogadro 2

    Python 6 Updated Jul 28, 2018
  • 3D molecular visualization React component using 3Dmol.js

    JavaScript 4 Apache-2.0 Updated Jul 25, 2018
  • Tomviz web code supporting the Tomviz desktop application for web export of data

    JavaScript 1 3 BSD-3-Clause Updated Jul 13, 2018
  • Translations for Avogadro app and libraries

    BSD-3-Clause Updated Jul 3, 2018
  • WebGL accelerated JavaScript molecular graphics library

    JavaScript 83 Updated Jun 22, 2018
  • 1 Updated Jun 18, 2018
  • Desktop integration of high performance computing resources

    C++ 9 13 BSD-3-Clause Updated May 6, 2018
  • VTK

    Forked from Kitware/VTK

    Local patches/updates necessary for Tomviz, no development, just staging for releases, and local tags

    C++ 551 Updated May 6, 2018
  • Local patches/updates necessary for Tomviz, no development, just staging for releases, and local tags

    C++ 188 Updated May 6, 2018
  • Development of the Chemical JSON data representation

    11 4 Updated Mar 16, 2018
  • A Girder content manager for Jupyter

    Python 3 Updated Nov 28, 2017
  • A JupyterHub authenticator for Girder credentials

    Python 1 Updated Oct 31, 2017
  • NWChem version that writes out JSON

    Fortran 2 Updated Aug 14, 2017
  • Crystallographic files of common materials, elements, oxides, for visualization in Avogadro

    Updated Feb 22, 2017
  • Common molecule fragments for visualization in Avogadro

    BSD-3-Clause Updated Dec 17, 2016