QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic moleculesJohannes Hoja, Alexandre Tkatchenko, Robert A. DiStasio et al.|Open Repository and Bibliography (University of Luxembourg)|2020Cited by 122
“Freedom of design” in chemical compound space: towards rational <i>in silico</i> design of molecules with targeted quantum-mechanical propertiesLeonardo Medrano Sandonas, Alexandre Tkatchenko, Álvaro Vázquez‐Mayagoitia et al.|Chemical Science|2023Cited by 16
QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic moleculesJohannes Hoja, Alexandre Tkatchenko, Leonardo Medrano Sandonas et al.|Zenodo (CERN European Organization for Nuclear Research)|2020Cited by 3
QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic moleculesJohannes Hoja, Alexandre Tkatchenko, Leonardo Medrano Sandonas et al.|Zenodo (CERN European Organization for Nuclear Research)|2020Cited by 3
Quantum Mechanics Enables "Freedom of Design" in Molecular Property SpaceLeonardo Medrano Sandonas, Alexandre Tkatchenko, Johannes Hoja et al.|ChemRxiv|2021Cited by 2