MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods

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Authors: Surajit Nandi, Tejs Vegge & Arghya Bhowmik

Journal title: Scientific data

Journal number: 10

Journal publisher: Nature Publishing Group

Published year: 2023

Published pages: 783

DOI identifier: 10.1038/s41597-023-02690-2

ISSN: 2052-4463