DScribe: Library of descriptors for machine learning in materials science
Himanen, Lauri, Jäger, Marc O.J., Morooka, Eiaki V., Federici Canova, Filippo, Ranawat, Yashasvi S., Gao, David Z., Rinke, Patrick, Foster, Adam S.
Published in Computer physics communications (01.02.2020)
Published in Computer physics communications (01.02.2020)
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Updates to the DScribe library: New descriptors and derivatives
Laakso, Jarno, Himanen, Lauri, Homm, Henrietta, Morooka, Eiaki V, Jäger, Marc O J, Todorović, Milica, Rinke, Patrick
Published in The Journal of chemical physics (21.06.2023)
Published in The Journal of chemical physics (21.06.2023)
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