Open Chemistry
Permissively licensed cross-platform tools that provide applications for computational chemistry, materials science, and related areas.
Global
Pinned Repositories
avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
chemicaljson
Development of the Chemical JSON data representation
crystals
Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
molequeue
Desktop integration of high performance computing resources
mongochem
Qt MongoDB desktop cheminformatics application - this project is no longer active
mongochemserver
Server code for MongoChem chemical data
openchemistry
Supermodule containing submodules and external project to build all components
stempy
Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/
tomviz
Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data
Open Chemistry's Repositories
OpenChemistry/avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
OpenChemistry/tomviz
Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data
OpenChemistry/avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
OpenChemistry/openchemistry
Supermodule containing submodules and external project to build all components
OpenChemistry/chemicaljson
Development of the Chemical JSON data representation
OpenChemistry/molequeue
Desktop integration of high performance computing resources
OpenChemistry/stempy
Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/
OpenChemistry/molecules
Common molecule fragments for visualization in Avogadro
OpenChemistry/mongochemserver
Server code for MongoChem chemical data
OpenChemistry/crystals
Crystallographic files of common materials, elements, oxides, for visualization in Avogadro
OpenChemistry/tomviz-superbuild
Superbuild to make packaging simpler for Tomviz
OpenChemistry/avogenerators
Python input file generators for Avogadro 2
OpenChemistry/oc-web-components
Web components supporting the Open Chemistry project
OpenChemistry/materialsdatabank
An information portal for 3D atomic electron tomography data
OpenChemistry/mongochemdeploy
Scripts to install/deploy the MongoChem server/web client
OpenChemistry/avogadrodata
Repository for support data used by the Open Chemistry projects (including Avogadro 2)
OpenChemistry/fragments
Molecular fragments and inorganic ligands for rapidly building structures
OpenChemistry/jupyterlab_cjson
OpenChemistry/tomvizdocs
Tomviz documentation hosted on readthedocs.io
OpenChemistry/avogadro-commands
Example default command scripts for Avogadro 2
OpenChemistry/distiller
OpenChemistry/avogadro-cclib
Python script plugin to import files through cclib
OpenChemistry/avogadro-i18n
Translations for Avogadro app and libraries
OpenChemistry/composition-plot
OpenChemistry/ParaView
Local patches/updates necessary for Tomviz, no development, just staging for releases, and local tags
OpenChemistry/stemserver
Server code for 4D STEM visualization and data processing
OpenChemistry/VisItBridge
Copy of VisItBridge
OpenChemistry/QtTesting
Copy of QtTesting
OpenChemistry/VTK
Local patches/updates necessary for Tomviz, no development, just staging for releases, and local tags
OpenChemistry/vtkcatalyst
Copy of vtkcatalyst