Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation

2 January 2022

Papers citing "Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation"

5 / 5 papers shown

Title
Recent Advances in Hypergraph Neural Networks Murong Yang Xin-Jian Xu GNN 80 0 0 11 Mar 2025
SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learning Hongfei Wu Lijun Wu Guoqing Liu Zhirong Liu Bin Shao Zun Wang 43 1 0 26 May 2024
AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning Mohammadamin Tavakoli Y. T. T. Chiu Alexander Shmakov Ann Marie Carlton David Van Vranken Pierre Baldi 25 2 0 02 Nov 2023
ChemAlgebra: Algebraic Reasoning on Chemical Reactions Andrea Valenti D. Bacciu Antonio Vergari OOD LRM 32 0 0 05 Oct 2022
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks P. Schwaller Daniel Probst Alain C. Vaucher Vishnu H. Nair D. Kreutter Teodoro Laino J. Reymond 147 225 0 09 Dec 2020