Open Chemistry

All

57 repositories

distiller
Public
Python
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BSD 3-Clause "New" or "Revised" License
•2•5•12•12•Updated Jan 27, 2025Jan 27, 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.
visualization open-source opengl chemistry desktop open-science computational-chemistry compchem scientific-computing hacktoberfest
C++
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BSD 3-Clause "New" or "Revised" License
•181•499•91•19•Updated Jan 27, 2025Jan 27, 2025
avogadroapp
Public
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
visualization chemistry desktop open-science compchem hacktoberfest avogadro openchemistry cross-platform qt5
C++
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BSD 3-Clause "New" or "Revised" License
•72•197•13•8•Updated Jan 26, 2025Jan 26, 2025
openchemistry
Public
Supermodule containing submodules and external project to build all components
CMake
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BSD 3-Clause "New" or "Revised" License
•61•83•4•2•Updated Jan 21, 2025Jan 21, 2025
avogadrodata
Public
Repository for support data used by the Open Chemistry projects (including Avogadro 2)
Shell
•9•4•0•0•Updated Jan 21, 2025Jan 21, 2025
avogenerators
Public
Python input file generators for Avogadro 2
chemistry compchem python avogadro
Python
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Other
•18•11•1•0•Updated Jan 21, 2025Jan 21, 2025
avogadro-i18n
Public
Translations for Avogadro app and libraries
BSD 3-Clause "New" or "Revised" License
•1•1•0•0•Updated Jan 21, 2025Jan 21, 2025
fragments
Public
Molecular fragments and inorganic ligands for rapidly building structures
chemistry molecules openchemistry common-molecule-fragments
Python
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BSD 3-Clause "New" or "Revised" License
•4•8•4•0•Updated Jan 21, 2025Jan 21, 2025
molecules
Public
Common molecule fragments for visualization in Avogadro
chemistry molecules common-molecule-fragments
BSD 3-Clause "New" or "Revised" License
•7•15•0•0•Updated Jan 21, 2025Jan 21, 2025
crystals
Public
Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
materials chemistry cheminformatics crystallography crystal-structure hacktoberfest
3•16•0•0•Updated Jan 21, 2025Jan 21, 2025
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
•11•24•20•5•Updated Jan 17, 2025Jan 17, 2025
molequeue
Public
Desktop integration of high performance computing resources
C++
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BSD 3-Clause "New" or "Revised" License
•24•26•5•0•Updated Oct 24, 2024Oct 24, 2024
tomviz
Public
Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data
open-source opengl open-science scientific-visualization tomography materials-science 3d-graphics visualization python
C++
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BSD 3-Clause "New" or "Revised" License
•87•328•127•10•Updated Jun 28, 2024Jun 28, 2024
chemicaljson
Public
Development of the Chemical JSON data representation
science json fileformat chemistry json-representation
Python
•15•63•6•1•Updated Jun 10, 2024Jun 10, 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
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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
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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
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BSD 3-Clause "New" or "Revised" License
•12•12•4•1•Updated Oct 7, 2023Oct 7, 2023
materialsdatabank
Public
An information portal for 3D atomic electron tomography data
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
tomvizdocs
Public
Tomviz documentation hosted on readthedocs.io
4•4•0•2•Updated May 15, 2023May 15, 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•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++
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Other
•427•2•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
•1.2k•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
VisItBridge
Public
Copy of VisItBridge
C
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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
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BSD 3-Clause "New" or "Revised" License
•9•16•2•4•Updated Aug 23, 2022Aug 23, 2022