Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science

This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).

Web-viewer for materials science visualizations

Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)

MPDS API client library in Python

Ermac is a standalone MPDS platform GUI to be embedded in any website

Automated computational workflows based on the MPDS data platform using the CRYSTAL first-principles engine