Molecule Graph Networks with Many-body Equivariant Interactions

Molecule Graph Networks with Many-body Equivariant Interactions

19 June 2024

Kelin Xia

Koji Tsuda

Papers citing "Molecule Graph Networks with Many-body Equivariant Interactions"

7 / 7 papers shown

Title
TorchMD-NET: Equivariant Transformers for Neural Network based Molecular Potentials Philipp Thölke Gianni De Fabritiis AI4CE 45 191 0 05 Feb 2022
E(n) Equivariant Graph Neural Networks Victor Garcia Satorras Emiel Hoogeboom Max Welling 55 997 0 19 Feb 2021
Equivariant message passing for the prediction of tensorial properties and molecular spectra Kristof T. Schütt Oliver T. Unke M. Gastegger 54 522 0 05 Feb 2021
SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks F. Fuchs Daniel E. Worrall Volker Fischer Max Welling 3DPC 64 683 0 18 Jun 2020
Generalizing Convolutional Neural Networks for Equivariance to Lie Groups on Arbitrary Continuous Data Marc Finzi Samuel Stanton Pavel Izmailov A. Wilson 87 322 0 25 Feb 2020
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 124 7,554 0 01 Oct 2018
Clebsch-Gordan Nets: a Fully Fourier Space Spherical Convolutional Neural Network Risi Kondor Zhen Lin Shubhendu Trivedi 67 267 0 24 Jun 2018