SchNetPack: A Deep Learning Toolbox For Atomistic Systems

Summary

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Authors: K. T. Schütt, P. Kessel, M. Gastegger, K. A. Nicoli, A. Tkatchenko, K.-R. Müller

Journal title: Journal of Chemical Theory and Computation

Journal number: 15/1

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 448-455

DOI identifier: 10.1021/acs.jctc.8b00908

ISSN: 1549-9618