VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification

10 April 2024

Papers citing "VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification"

7 / 7 papers shown

Title
Accurate Pocket Identification for Binding-Site-Agnostic Docking Y. Balytskyi Inna Hubenko A. Balytska Christopher V. Kelly 58 0 0 04 Feb 2025
Cayley Graph Propagation JJ Wilson Maya Bechler-Speicher Petar Veličković 32 5 0 04 Oct 2024
E(n) Equivariant Topological Neural Networks Claudio Battiloro Ege Karaismailoglu Mauricio Tec George Dasoulas Michelle Audirac Francesca Dominici 52 5 0 24 May 2024
Understanding Virtual Nodes: Oversquashing and Node Heterogeneity Joshua Southern Francesco Di Giovanni Michael M. Bronstein J. Lutzeyer 57 1 0 22 May 2024
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Gabriele Corso Hannes Stärk Bowen Jing Regina Barzilay Tommi Jaakkola DiffM 139 410 0 04 Oct 2022
Frame Averaging for Invariant and Equivariant Network Design Omri Puny Matan Atzmon Heli Ben-Hamu Ishan Misra Aditya Grover Edward James Smith Y. Lipman FedML 49 128 0 07 Oct 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 203 1,240 0 08 Jan 2021