DScribe: Library of descriptors for machine learning in materials science
DScribe: Library of descriptors for machine learning in materials science
This talk introduces DScribe which 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. DScribe provides user-friendly, off-the-shelf descriptor implementations and is freely available under the …