3D Molecular Geometry Analysis with 2D Graphs

1 May 2023

Papers citing "3D Molecular Geometry Analysis with 2D Graphs"

4 / 4 papers shown

Title
MolBind: Multimodal Alignment of Language, Molecules, and Proteins Teng Xiao Chao Cui Huaisheng Zhu V. Honavar AI4CE 32 6 0 13 Mar 2024
Directional Message Passing on Molecular Graphs via Synthetic Coordinates Johannes Klicpera Chandan Yeshwanth Stephan Günnemann 35 35 0 08 Nov 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 112 302 0 07 Oct 2021
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 162 1,775 0 02 Mar 2017