Neural Atoms: Propagating Long-range Interaction in Molecular Graphs
through Efficient Communication Channel

Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel

2 November 2023

Jiangchao Yao

Bo Han

Papers citing "Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel"

8 / 8 papers shown

Title
Natural Language-Assisted Multi-modal Medication Recommendation Jie Tan Yu Rong Kangfei Zhao Tian Bian Tingyang Xu Junzhou Huang Hong Cheng H. Meng 39 1 0 13 Jan 2025
E(n) Equivariant Topological Neural Networks Claudio Battiloro Ege Karaismailoglu Mauricio Tec George Dasoulas Michelle Audirac Francesca Dominici 47 4 0 24 May 2024
Towards out-of-distribution generalizable predictions of chemical kinetics properties Zihao W. Wang Yongqiang Chen Yang Duan Weijiang Li Bo Han James Cheng Hanghang Tong OOD 26 6 0 04 Oct 2023
Out-of-distribution Detection with Implicit Outlier Transformation Qizhou Wang Junjie Ye Feng Liu Quanyu Dai Marcus Kalander Tongliang Liu Jianye Hao Bo Han OODD 133 45 0 09 Mar 2023
Ewald-based Long-Range Message Passing for Molecular Graphs Arthur Kosmala Johannes Gasteiger Nicholas Gao Stephan Günnemann 64 25 0 08 Mar 2023
Graph Neural Networks with Learnable Structural and Positional Representations Vijay Prakash Dwivedi A. Luu T. Laurent Yoshua Bengio Xavier Bresson GNN 179 304 0 15 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 112 294 0 07 Oct 2021
Big Bird: Transformers for Longer Sequences Manzil Zaheer Guru Guruganesh Kumar Avinava Dubey Joshua Ainslie Chris Alberti ... Philip Pham Anirudh Ravula Qifan Wang Li Yang Amr Ahmed VLM 249 1,982 0 28 Jul 2020