Graph Neural Network with Local Frame for Molecular Potential Energy Surface

1 August 2022

Papers citing "Graph Neural Network with Local Frame for Molecular Potential Energy Surface"

9 / 9 papers shown

Title
Graph as Point Set Xiyuan Wang Pan Li Muhan Zhang GNN 3DPC PINN 33 4 0 05 May 2024
On the Completeness of Invariant Geometric Deep Learning Models Zian Li Xiyuan Wang Shijia Kang Muhan Zhang 23 2 0 07 Feb 2024
FAENet: Frame Averaging Equivariant GNN for Materials Modeling Alexandre Duval Victor Schmidt A. Garcia Santiago Miret Fragkiskos D. Malliaros Yoshua Bengio David Rolnick 17 51 0 28 Apr 2023
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 33 90 0 07 Oct 2021
Mesh convolutional neural networks for wall shear stress estimation in 3D artery models Julian Suk P. D. Haan Phillip Lippe Christoph Brune J. Wolterink AI4CE 45 19 0 10 Sep 2021
Vector Neurons: A General Framework for SO(3)-Equivariant Networks Congyue Deng Or Litany Yueqi Duan A. Poulenard Andrea Tagliasacchi Leonidas J. Guibas 3DPC 99 264 0 25 Apr 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 183 1,218 0 08 Jan 2021
Gauge Equivariant Mesh CNNs: Anisotropic convolutions on geometric graphs P. D. Haan Maurice Weiler Taco S. Cohen Max Welling 83 120 0 11 Mar 2020
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 152 1,748 0 02 Mar 2017