rosecers/chemiscope

An interactive structure/property explorer for materials and molecules

Chemiscope: interactive structure-property explorer for materials and molecules

Chemiscope is an graphical tool for the interactive exploration of materials and molecular databases, correlating local and global structural descriptors with the physical properties of the different systems; as well as a library of re-usable components useful to create new interfaces.

Documentation

You may be interested in particular about how to create a visualization of your own dataset.

Getting and running the code

git clone https://github.com/cosmo-epfl/chemiscope
cd chemiscope
npm install
npm run download-example-input
npm start

# navigate to localhost:8080

Building the code to use it in other projects

git clone https://github.com/cosmo-epfl/chemiscope
cd chemiscope
npm install
npm run build

# Include dist/chemiscope.min.js in your own web page

See [app/] or the documentation for a examples of how to create a webpage using chemiscope.

License and contributions

Chemiscope itself is distributed under the 3-Clauses BSD license. By contributing to this repository, you agree to distribute your contributions under the same license.

Chemiscope depends on JSmol, which is distributed under the LGPLv2.1 license.