2.3k citations · 16.8k across the 81 of their papers we have counts for
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physics.chem-ph2017★ 2.3k cited
SchNet - a deep learning architecture for molecules and materials
Kristof T. Schütt, Huziel E. Sauceda, Pieter-Jan Kindermans +2
Deep learning has led to a paradigm shift in artificial intelligence, including web, text and image search, speech recognition, as well as bioinformatics, with growing impact in ch…
physics.chem-ph2017★ 175 cited
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning
Tristan Bereau, Robert A. DiStasio, Alexandre Tkatchenko +1
Classical intermolecular potentials typically require an extensive parametrization procedure for any new compound considered. To do away with prior parametrization, we propose a co…