Crystal Toolkit

Crystal Toolkit is not ready for the public yet! Please wait for a release announcement soon, thank you :-)

Documentation

Documentation can be found at docs.crystaltoolkit.org

Team and Contribution Policy

The Crystal Toolkit Development Team includes:

Matthew Horton, lead
François Chabbey for React components
Jimmy Shen contributed pythreejs support, surface plotting, initial arrows/axes support, and various bug fixes
Joey Montoya contributed Pourbaix component
Shyam Dwaraknath for planned contributions for ellipsoid support and architectural design
Donny Winston, assisted by Tyler Huntington, for helping embed Crystal Toolkit in a Django app
Matt McDermott contributed phase diagram, X-ray Diffraction, X-ray Absorption Spectrum components
Jason Munro contributed band structure component
Stephen Weitzner contributed POV-Ray integration (in progress)
Richard Tran for contributing plotly-powered Wulff shapes to pymatgen, which Crystal Toolkit uses
Guy Moore for contributing magnetic moment visualization

New contributors are welcome, please see our Code of Conduct. If you are a new contributor please modify this README in your Pull Request to add your name to the list.

Future of This Repository

The Crystal Toolkit repo currently contains three major parts:

An object-orientated Python framework for rendering materials science data based on the schema employed by the Materials Proejct
A few custom Plotly Dash components (Simple3DSceneComponent, JSONComponent, GraphComponent)
Some example apps using these components

It is likely the custom Plotly Dash components might be spun off into a separate repo at some point to reduce the complexity of the Crystal Toolkit repo itself.

Acknowledgements

Thank you to all the authors and maintainers of the libraries Crystal Toolkit depends upon, and in particular pymatgen for crystallographic analysis and Dash from Plotly for their web app framework.

Thank you to the NERSC Spin service for hosting the app and for their technical support.

Cross-browser Testing Platform and Open Source <3 generously provided by Sauce Labs