Repositories list

• avogadrolibs

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

  visualizationopen-sourceopengl+ 11chemistrydesktopopen-sciencecomputational-chemistrycompchemscientific-computinghacktoberfest+ 4

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •175•468•110•16•Updated Dec 1, 2024Dec 1, 2024

• avogadroapp

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

  visualizationchemistrydesktop+ 7open-sciencecompchemhacktoberfestavogadroopenchemistrycross-platformqt5

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •72•189•8•7•Updated Dec 1, 2024Dec 1, 2024

• openchemistry

  Public
  Supermodule containing submodules and external project to build all components

  CMake

  •

  BSD 3-Clause "New" or "Revised" License

  •60•80•4•1•Updated Nov 11, 2024Nov 11, 2024

• molequeue

  Public
  Desktop integration of high performance computing resources

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •25•25•5•0•Updated Oct 24, 2024Oct 24, 2024

• distiller

  Public
  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •2•5•12•16•Updated Oct 17, 2024Oct 17, 2024

• stempy

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

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •11•22•20•6•Updated Oct 3, 2024Oct 3, 2024

• avogenerators

  Public
  Python input file generators for Avogadro 2

  chemistrycompchempython+ 1avogadro

  Python

  •

  Other

  •18•11•1•0•Updated Jul 5, 2024Jul 5, 2024

• tomviz

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

  open-sourceopenglopen-science+ 6scientific-visualizationtomographymaterials-science3d-graphicsvisualizationpython

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •87•325•127•10•Updated Jun 28, 2024Jun 28, 2024

• chemicaljson

  Public
  Development of the Chemical JSON data representation

  sciencejsonfileformat+ 2chemistryjson-representation

  Python

  •15•63•6•1•Updated Jun 10, 2024Jun 10, 2024

• crystals

  Public
  Crystallographic files of common materials, elements, oxides, for visualization in Avogadro

  materialschemistrycheminformatics+ 3crystallographycrystal-structurehacktoberfest

  3•16•0•0•Updated Apr 22, 2024Apr 22, 2024

• stemserver

  Public
  Server code for 4D STEM visualization and data processing

  Python

  •1•1•1•1•Updated Apr 12, 2024Apr 12, 2024

• avogadro-i18n

  Public
  Translations for Avogadro app and libraries

  BSD 3-Clause "New" or "Revised" License

  •0•1•0•0•Updated Apr 10, 2024Apr 10, 2024

• fragments

  Public
  Molecular fragments and inorganic ligands for rapidly building structures

  chemistrymoleculesopenchemistry+ 1common-molecule-fragments

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •4•7•4•1•Updated Apr 1, 2024Apr 1, 2024

• avogadrodata

  Public
  Repository for support data used by the Open Chemistry projects (including Avogadro 2)

  Shell

  •9•4•0•0•Updated Feb 10, 2024Feb 10, 2024

• molecules

  Public
  Common molecule fragments for visualization in Avogadro

  chemistrymoleculescommon-molecule-fragments

  BSD 3-Clause "New" or "Revised" License

  •6•15•0•1•Updated Feb 10, 2024Feb 10, 2024

• mongochemdeploy

  Public
  Scripts to install/deploy the MongoChem server/web client

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •9•7•8•3•Updated Dec 8, 2023Dec 8, 2023

• avogadro-commands

  Public
  Example default command scripts for Avogadro 2

  pythonchemistryscript

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •1•2•0•0•Updated Oct 28, 2023Oct 28, 2023

• avogadro-cclib

  Public
  Python script plugin to import files through cclib

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •1•1•0•0•Updated Oct 18, 2023Oct 18, 2023

• tomviz-superbuild

  Public
  Superbuild to make packaging simpler for Tomviz

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •12•11•4•1•Updated Oct 7, 2023Oct 7, 2023

• materialsdatabank

  Public
  An information portal for 3D atomic electron tomography data

  data-managementtomographyopenscience+ 1material-science

  JavaScript

  •

  BSD 3-Clause "New" or "Revised" License

  •5•7•11•3•Updated Jul 11, 2023Jul 11, 2023

• tomvizdocs

  Public
  Tomviz documentation hosted on readthedocs.io

  4•3•0•2•Updated May 15, 2023May 15, 2023

• composition-plot

  Public
  TypeScript

  •

  BSD 3-Clause "New" or "Revised" License

  •1•1•0•9•Updated Mar 6, 2023Mar 6, 2023

• oc-web-components

  Public
  Web components supporting the Open Chemistry project

  JavaScript

  •

  BSD 3-Clause "New" or "Revised" License

  •11•8•2•69•Updated Feb 1, 2023Feb 1, 2023

• jupyterlab_cjson

  Public
  JavaScript

  •4•3•8•12•Updated Jan 4, 2023Jan 4, 2023

• ParaView

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

  C++

  •

  Other

  •421•1•0•0•Updated Nov 8, 2022Nov 8, 2022

• VTK

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

  C++

  •

  Other

  •1.2k•0•0•0•Updated Nov 7, 2022Nov 7, 2022

• QtTesting

  Public
  Copy of QtTesting

  C++

  •

  Other

  •0•0•0•0•Updated Sep 16, 2022Sep 16, 2022

• vtkcatalyst

  Public
  Copy of vtkcatalyst

  C++

  •

  Other

  •0•0•0•0•Updated Sep 16, 2022Sep 16, 2022

• VisItBridge

  Public
  Copy of VisItBridge

  C

  •

  BSD 3-Clause "New" or "Revised" License

  •0•1•0•0•Updated Sep 16, 2022Sep 16, 2022

• mongochemserver

  Public
  Server code for MongoChem chemical data

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •9•16•2•4•Updated Aug 23, 2022Aug 23, 2022