Transition1x - a dataset for building generalizable reactive machine learning potentials

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Authors: Mathias Schreiner; Arghya Bhowmik; Tejs Vegge; Jonas Busk; Ole Winther

Journal title: Scientific Data

Journal number: 9

Journal publisher: Springer Nature

Published year: 2022

DOI identifier: 10.1038/s41597-022-01870-w

ISSN: 2052-4463