chemiscope
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    Arginine-Dipeptide Chemical Shieldings Qm7b Azaphenacenes Zeolites
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Created by Guillaume Fraux
2021 COSMO@EPFL   -   unknown version
Chemiscope: interactive structure/property explorer for materials and molecules
Chemiscope: interactive structure/property explorer for materials and molecules

Chemiscope is a tool for interactive exploration of databases of materials and molecules, correlating local and global structural representations with the properties of the systems.

Chemiscope is free and open source, distributed under the BSD license. It is developed by Guillaume Fraux in the COSMO lab at EPFL, with support from the NCCR MARVEL and MaX European Centre of Excellence. Early development was influenced by the Interactive Sketch-map Visualizer

References
  • Chemiscope: interactive structure-property explorer for materials and molecules
    G Fraux, RK Cersonsky, M Ceriotti - JOSS, 2020
Download chemiscope

Chemiscope consists in a set of JavaScript modules to visualize atomic structures and map associated data. These modules can be assembled into all sorts of interactive visualization tools, such as that which you can use on these pages.

If you are a developer you may be interested in downloading the source code, which is available on GitHub.

If you are a user, you may want to download a standalone version of the standard viewer, which you can use to display locally datasets prepared in the chemiscope JSON format.

Load and save data
Dataset

Using chemiscope.org, you are able to visualize your own data, stored in a JSON file. Please see the documentation for a complete description of the JSON format; as well as tools that can help you generate such files.

save as
The current dataset contains dynamically loaded structures, use 'include all structure' to include all of them in the file
Visualization state

The visualization state is a JSON file including all settings changes made on the current dataset.

save as