CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph

CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph

16 June 2024

Haitao Lin

Zicheng Liu

Cheng Tan

Stan Z. Li

Papers citing "CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph"

10 / 10 papers shown

Title
Deep Lead Optimization: Leveraging Generative AI for Structural Modification Odin Zhang Haitao Lin Hui Zhang Huifeng Zhao Yufei Huang Yuansheng Huang Dejun Jiang Chang-Yu Hsieh P. Pan Tingjun Hou 67 8 0 30 Apr 2024
DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding Haitao Lin Yufei Huang Odin Zhang Siqi Ma Meng Liu X. Li Lirong Wu Shuiwang Ji Tingjun Hou Stan Z. Li DiffM 51 64 0 21 Nov 2022
Structure-based Drug Design with Equivariant Diffusion Models Arne Schneuing Yuanqi Du Charles Harris Arian R. Jamasb Ilia Igashov ... Pietro Lio Carla P. Gomes Max Welling Michael M. Bronstein B. Correia DiffM 69 210 0 24 Oct 2022
USB: A Unified Semi-supervised Learning Benchmark for Classification Yidong Wang Hao Chen Yue Fan Wangbin Sun R. Tao ... T. Shinozaki Bernt Schiele Jindong Wang Xingxu Xie Yue Zhang 53 116 0 12 Aug 2022
Conditional Antibody Design as 3D Equivariant Graph Translation Xiangzhe Kong Wenbing Huang Yang Liu DiffM 60 87 0 12 Aug 2022
Torsional Diffusion for Molecular Conformer Generation Bowen Jing Gabriele Corso Jeffrey Chang Regina Barzilay Tommi Jaakkola DiffM BDL 69 266 0 01 Jun 2022
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets Xingang Peng Shitong Luo Jiaqi Guan Qi Xie Jian-wei Peng Jianzhu Ma 52 179 0 15 May 2022
Score-Based Generative Modeling through Stochastic Differential Equations Yang Song Jascha Narain Sohl-Dickstein Diederik P. Kingma Abhishek Kumar Stefano Ermon Ben Poole DiffM SyDa 279 6,293 0 26 Nov 2020
GEOM: Energy-annotated molecular conformations for property prediction and molecular generation Simon Axelrod Rafael Gómez-Bombarelli 3DV AI4CE 57 214 0 09 Jun 2020
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 384 19,991 0 30 Oct 2017