DScribe: Library of descriptors for machine learning in materials science

DScribe is a software package for machine learning that provides popular feature transformations (“descriptors”) for atomistic materials simulations. DScribe accelerates the application of machine learning for atomistic property prediction by providing user-friendly, off-the-shelf descriptor impleme...

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Bibliographic Details

Published in:	Computer physics communications Vol. 247; p. 106949
Main Authors:	Himanen, Lauri, Jäger, Marc O.J., Morooka, Eiaki V., Federici Canova, Filippo, Ranawat, Yashasvi S., Gao, David Z., Rinke, Patrick, Foster, Adam S.
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.02.2020
Subjects:	Descriptor Machine learning Materials science Open source Python Materials science Descriptor Open source Machine learning Python
ISSN:	0010-4655, 1879-2944
Online Access:	Get full text
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