3DReact: Geometric deep learning for chemical reactions

3DReact: Geometric deep learning for chemical reactions

13 December 2023

Puck van Gerwen

Charlotte Bunne

Vignesh Ram Somnath

Papers citing "3DReact: Geometric deep learning for chemical reactions"

3 / 3 papers shown

Title
Transferable Learning of Reaction Pathways from Geometric Priors Juno Nam Miguel Steiner Max Misterka Soojung Yang Avni P. Singhal Rafael Gómez-Bombarelli 32 0 0 21 Apr 2025
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
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 227 1,240 0 08 Jan 2021