wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows

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Authors: Elena Gelžinytė, Simon Wengert, Tamás K. Stenczel, Hendrik H. Heenen, Karsten Reuter, Gábor Csányi, Noam Bernstein

Journal title: The Journal of Chemical Physics

Journal number: 159

Journal publisher: American Institute of Physics

Published year: 2023

Published pages: 124801

DOI identifier: 10.1063/5.0156845

ISSN: 0021-9606