QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules

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Authors: Johannes Hoja, Leonardo Medrano Sandonas, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr. & Alexandre Tkatchenko

Journal title: Scientific Data

Journal number: 20524463

Journal publisher: Nature Portfolio

Published year: 2021

DOI identifier: 10.1038/s41597-021-00812-2

ISSN: 2052-4463