Quantum Energy Regression using Scattering Transforms

6 February 2015

Papers citing "Quantum Energy Regression using Scattering Transforms"

3 / 3 papers shown

Title
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning Marcel F. Langer Alex Goessmann M. Rupp AI4CE 30 92 0 26 Mar 2020
Constant Size Molecular Descriptors For Use With Machine Learning Christopher R. Collins Geoffrey J. Gordon O. A. von Lilienfeld D. Yaron 11 13 0 23 Jan 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 79 2,891 0 07 Oct 2016