Open Chemistry

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57 repositories

avogadrolibs
Public
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, mate…
visualization open-source opengl
visualization open-source opengl cross-platform chemistry desktop qt5 open-science computational-chemistry compchem
C++
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BSD 3-Clause "New" or "Revised" License
•220•602•99•14•Updated Mar 13, 2026Mar 13, 2026
avogadroapp
Public
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and …
visualization cross-platform chemistry
visualization cross-platform chemistry desktop qt5 open-science compchem hacktoberfest avogadro openchemistry
C++
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BSD 3-Clause "New" or "Revised" License
•79•242•12•2•Updated Mar 13, 2026Mar 13, 2026
avogadro-i18n
Public
Translations for Avogadro app and libraries
BSD 3-Clause "New" or "Revised" License
•1•2•0•0•Updated Mar 13, 2026Mar 13, 2026
avogadro-cclib
Public
Python script plugin to import files through cclib
Python
•
BSD 3-Clause "New" or "Revised" License
•2•1•0•0•Updated Mar 11, 2026Mar 11, 2026
avogenerators
Public
Python input file generators for Avogadro 2
python chemistry compchem
python chemistry compchem avogadro
Python
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Other
•24•16•2•1•Updated Mar 11, 2026Mar 11, 2026
tomvizdocs
Public
Tomviz documentation hosted on readthedocs.io
Python
•4•4•0•2•Updated Mar 9, 2026Mar 9, 2026
tomviz
Public
Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data
visualization python open-source
visualization python open-source opengl open-science scientific-visualization tomography materials-science 3d-graphics
C++
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BSD 3-Clause "New" or "Revised" License
•92•354•130•10•Updated Mar 9, 2026Mar 9, 2026
openchemistry
Public
Supermodule containing submodules and external project to build all components
CMake
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BSD 3-Clause "New" or "Revised" License
•60•87•2•1•Updated Feb 12, 2026Feb 12, 2026
mongochemserver
Public
Server code for MongoChem chemical data
Python
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BSD 3-Clause "New" or "Revised" License
•9•17•2•4•Updated Feb 9, 2026Feb 9, 2026
avogadrodata
Public
Repository for support data used by the Open Chemistry projects (including Avogadro 2)
Python
•10•4•0•0•Updated Feb 6, 2026Feb 6, 2026
fragments
Public
Molecular fragments and inorganic ligands for rapidly building structures
chemistry molecules openchemistry
chemistry molecules openchemistry common-molecule-fragments
Python
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BSD 3-Clause "New" or "Revised" License
•5•10•4•0•Updated Feb 6, 2026Feb 6, 2026
molecules
Public
Common molecule fragments for visualization in Avogadro
chemistry molecules common-molecule-fragments
chemistry molecules common-molecule-fragments
BSD 3-Clause "New" or "Revised" License
•7•17•1•0•Updated Feb 6, 2026Feb 6, 2026
crystals
Public
Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
materials chemistry cheminformatics
materials chemistry cheminformatics crystallography crystal-structure hacktoberfest
4•20•0•0•Updated Feb 6, 2026Feb 6, 2026
distiller
Public
Python
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BSD 3-Clause "New" or "Revised" License
•3•8•9•12•Updated Jan 21, 2026Jan 21, 2026
stempy
Public
Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/
C++
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BSD 3-Clause "New" or "Revised" License
•12•27•23•6•Updated Jan 8, 2026Jan 8, 2026
chemicaljson
Public
Development of the Chemical JSON data representation
science json chemistry
science json chemistry fileformat json-representation
Python
•18•69•9•6•Updated Oct 19, 2025Oct 19, 2025
openchemistry.org
Public
Files for the public facing openchemistry.org website
HTML
•0•0•0•0•Updated Sep 9, 2025Sep 9, 2025
tomviz-superbuild
Public
Superbuild to make packaging simpler for Tomviz
Shell
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BSD 3-Clause "New" or "Revised" License
•12•12•4•1•Updated Feb 13, 2025Feb 13, 2025
molequeue
Public
Desktop integration of high performance computing resources
C++
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BSD 3-Clause "New" or "Revised" License
•25•29•5•4•Updated Oct 24, 2024Oct 24, 2024
stemserver
Public
Server code for 4D STEM visualization and data processing
Python
•1•1•1•1•Updated Apr 12, 2024Apr 12, 2024
mongochemdeploy
Public
Scripts to install/deploy the MongoChem server/web client
Python
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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
python chemistry script
python chemistry script
Python
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BSD 3-Clause "New" or "Revised" License
•1•2•0•0•Updated Oct 28, 2023Oct 28, 2023
materialsdatabank
Public
An information portal for 3D atomic electron tomography data
data-management tomography openscience
data-management tomography openscience material-science
JavaScript
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BSD 3-Clause "New" or "Revised" License
•5•8•11•3•Updated Jul 11, 2023Jul 11, 2023
composition-plot
Public
TypeScript
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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
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BSD 3-Clause "New" or "Revised" License
•11•9•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++
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Other
•472•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++
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Other
•1.3k•0•0•0•Updated Nov 7, 2022Nov 7, 2022
QtTesting
Public
Copy of QtTesting
C++
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Other
•0•1•0•0•Updated Sep 16, 2022Sep 16, 2022
vtkcatalyst
Public
Copy of vtkcatalyst
C++
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Other
•0•0•0•0•Updated Sep 16, 2022Sep 16, 2022