DScribe

Description

dscribe website

DScribe is a Python package for transforming atomic structures into fixed-size numerical fingerprints. These fingerprints are often called “descriptors” and they can be used in various tasks, including machine learning, visualization, similarity analysis, etc.

Environment Modules

Run module spider dscribe to find out what environment modules are available for this application.

Environment Variables

Citation

If you publish research that uses DScribe you have to cite it as follows:

DScribe: Library of descriptors for machine learning in materials science

Categories

machine_learning