Simplicial Message Passing for Chemical Property Prediction

9 June 2023

Papers citing "Simplicial Message Passing for Chemical Property Prediction"

4 / 4 papers shown

Title
Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials Viktor Zaverkin Johannes Kastner 34 67 0 15 Sep 2021
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects Oliver T. Unke Stefan Chmiela M. Gastegger Kristof T. Schütt H. E. Sauceda K. Müller 177 246 0 01 May 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,340 0 12 Feb 2018
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 259 3,239 0 24 Nov 2016