On the equivalence of molecular graph convolution and molecular wave
function with poor basis set
Neural Information Processing Systems (NeurIPS), 2020
Papers citing "On the equivalence of molecular graph convolution and molecular wave function with poor basis set"
6 / 6 papers shown
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 Formulation Graphs for Mapping Structure-Composition of Battery
Electrolytes to Device PerformanceJournal of Chemical Information and Modeling (JCIM), 2023 Vidushi Sharma Maxwell J. Giammona Dmitry Zubarev Andy Tek Khanh Nugyuen Linda Sundberg D. Congiu Young-Hye La |
 Graph Neural Network with Local Frame for Molecular Potential Energy
SurfaceLOG IN (LOG IN), 2022 |
