The Materials Data Facility

Discover Data

Search Results

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

Hoja, Johannes; Medrano Sandonas, Leonardo; Ernst, Brian; Vazquez-Mayagoitia, Alvaro; DiStasio Jr., Robert A.; Tkatchenko, Alexandre
Organizations: MDF Open
DOI: 10.18126/5y39-v72p
Year: 2023