A Systematic Survey in Geometric Deep Learning for Structure-based Drug
Design

A Systematic Survey in Geometric Deep Learning for Structure-based Drug Design

20 June 2023

Qi Liu

Enhong Chen

Papers citing "A Systematic Survey in Geometric Deep Learning for Structure-based Drug Design"

10 / 10 papers shown

Title
Hierarchical Graph Transformer with Adaptive Node Sampling Zaixin Zhang Qi Liu Qingyong Hu Cheekong Lee 65 82 0 08 Oct 2022
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design Keir Adams Connor W. Coley 29 23 0 06 Oct 2022
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Gabriele Corso Hannes Stärk Bowen Jing Regina Barzilay Tommi Jaakkola DiffM 130 399 0 04 Oct 2022
Predicting Protein-Ligand Binding Affinity via Joint Global-Local Interaction Modeling Yang Zhang G. Zhou Zhewei Wei Hongteng Xu 16 9 0 18 Sep 2022
Multimodal learning with graphs Yasha Ektefaie George Dasoulas Ayush Noori Maha Farhat Marinka Zitnik 38 82 0 07 Sep 2022
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao Tess E. Smidt 73 211 0 23 Jun 2022
A 3D Generative Model for Structure-Based Drug Design Shitong Luo Jiaqi Guan Jianzhu Ma Jian-wei Peng DiffM 65 176 0 20 Mar 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 196 224 0 12 Oct 2021
Vector Neurons: A General Framework for SO(3)-Equivariant Networks Congyue Deng Or Litany Yueqi Duan A. Poulenard Andrea Tagliasacchi Leonidas J. Guibas 3DPC 102 314 0 25 Apr 2021
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 231 3,202 0 24 Nov 2016