1. Faculty of Physics, University of Vienna, Kolingasse 14-16, AT-1090 Wien, Austria
2. Vienna Doctoral School in Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria
3. Machine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany
4. Berlin Institute for the Foundations of Learning and Data, 10587 Berlin, Germany
5. Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland