Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks

Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks

3 February 2024

TrungTin Nguyen

Jan Peters

Viktor Zaverkin

Mathias Niepert

Papers citing "Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks"

8 / 8 papers shown

Title
LoGra-Med: Long Context Multi-Graph Alignment for Medical Vision-Language Model Duy M. H. Nguyen N. T. Diep Trung Q. Nguyen Hoang-Bao Le Tai Nguyen ... Pengtao Xie Roger Wattenhofer James Zhou Daniel Sonntag Mathias Niepert VLM 55 3 0 03 Oct 2024
Dude: Dual Distribution-Aware Context Prompt Learning For Large Vision-Language Model D. M. Nguyen An T. Le Trung Q. Nguyen N. T. Diep Tai Nguyen D. Duong-Tran Jan Peters Li Shen Mathias Niepert Daniel Sonntag VLM 43 3 0 05 Jul 2024
Template based Graph Neural Network with Optimal Transport Distances Cédric Vincent-Cuaz Rémi Flamary Marco Corneli Titouan Vayer Nicolas Courty OT 49 20 0 31 May 2022
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 126 302 0 07 Oct 2021
Online Graph Dictionary Learning Cédric Vincent-Cuaz Titouan Vayer Rémi Flamary Marco Corneli Nicolas Courty 34 45 0 12 Feb 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 233 1,240 0 08 Jan 2021
Representation Learning on Graphs with Jumping Knowledge Networks Keyulu Xu Chengtao Li Yonglong Tian Tomohiro Sonobe Ken-ichi Kawarabayashi Stefanie Jegelka GNN 279 1,944 0 09 Jun 2018
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 222 1,780 0 02 Mar 2017