Carbohydrate NMR chemical shift predictions using E(3) equivariant graph neural networks

21 November 2023

Papers citing "Carbohydrate NMR chemical shift predictions using E(3) equivariant graph neural networks"

4 / 4 papers shown

Title
Flexible SE(2) graph neural networks with applications to PDE surrogates Maria Bånkestad Olof Mogren Aleksis Pirinen 34 1 0 30 May 2024
GlycanML: A Multi-Task and Multi-Structure Benchmark for Glycan Machine Learning Minghao Xu Yunteng Geng Yihang Zhang Ling Yang Jian Tang Wentao Zhang 22 2 0 25 May 2024
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao Tess E. Smidt 73 142 0 23 Jun 2022
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