Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking

15 November 2021

Papers citing "Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking"

24 / 24 papers shown

Title
Learning the Language of Protein Structure Benoit Gaujac Jérémie Donà Liviu Copoiu Timothy Atkinson Thomas Pierrot Thomas D. Barrett 55 10 0 08 Jan 2025
FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames R. Wu Ruihan Guo Rui Wang Shitong Luo Yue Xu Jiahan Li Jianzhu Ma Qiang Liu Yunan Luo Jian Peng 28 1 0 01 Jul 2024
ProteinEngine: Empower LLM with Domain Knowledge for Protein Engineering Yiqing Shen Outongyi Lv Houying Zhu Yu Guang Wang 35 4 0 21 Apr 2024
SGNet: Folding Symmetrical Protein Complex with Deep Learning Zhaoqun Li Jingcheng Yu Qiwei Ye 23 0 0 07 Mar 2024
A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications Jiaqi Han Jiacheng Cen Liming Wu Zongzhao Li Xiangzhe Kong ... Zhewei Wei Deli Zhao Yu Rong Wenbing Huang Wenbing Huang AI4CE 34 20 0 01 Mar 2024
Equivariant Symmetry Breaking Sets YuQing Xie Tess E. Smidt 25 4 0 05 Feb 2024
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure Ian Dunn D. Koes DiffM GNN 19 3 0 22 Nov 2023
DockGame: Cooperative Games for Multimeric Rigid Protein Docking Vignesh Ram Somnath Pier Giuseppe Sessa María Rodríguez Martínez Andreas Krause 34 2 0 09 Oct 2023
Policy Gradient Methods in the Presence of Symmetries and State Abstractions Prakash Panangaden S. Rezaei-Shoshtari Rosie Zhao D. Meger Doina Precup 25 2 0 09 May 2023
Semi-Equivariant Conditional Normalizing Flows Eyal Rozenberg Daniel Freedman 22 0 0 13 Apr 2023
Accurate and Definite Mutational Effect Prediction with Lightweight Equivariant Graph Neural Networks Bingxin Zhou Outongyi Lv Kai Yi Xinye Xiong P. Tan Liang Hong Yu Wang 26 4 0 13 Apr 2023
Graph Representation Learning for Interactive Biomolecule Systems Xinye Xiong Bingxin Zhou Yu Guang Wang AI4CE GNN 33 0 0 05 Apr 2023
Aligned Diffusion Schrödinger Bridges Vignesh Ram Somnath Matteo Pariset Ya-Ping Hsieh María Rodríguez Martínez Andreas Krause Charlotte Bunne DiffM 117 30 0 22 Feb 2023
End-to-End Full-Atom Antibody Design Xiangzhe Kong Wenbing Huang Yang Liu 11 48 0 01 Feb 2023
Integration of Pre-trained Protein Language Models into Geometric Deep Learning Networks Fang Wu Yujun Tao Dragomir R. Radev Jinbo Xu Stan Z. Li AI4CE 27 32 0 07 Dec 2022
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 18 60 0 21 Nov 2022
Semi-Equivariant Continuous Normalizing Flows for Target-Aware Molecule Generation Eyal Rozenberg Daniel Freedman 19 0 0 09 Nov 2022
Structure-based drug design with geometric deep learning Clemens Isert Kenneth Atz G. Schneider 44 104 0 19 Oct 2022
A Graph Neural Network Approach to Automated Model Building in Cryo-EM Maps Kiarash Jamali D. Kimanius S. Scheres 3DV 16 27 0 30 Sep 2022
Conditional Antibody Design as 3D Equivariant Graph Translation Xiangzhe Kong Wenbing Huang Yang Liu DiffM 24 84 0 12 Aug 2022
Equivariant Descriptor Fields: SE(3)-Equivariant Energy-Based Models for End-to-End Visual Robotic Manipulation Learning Hyunwoo Ryu Jeong-Hoon Lee Honglak Lee Jongeun Choi 37 53 0 16 Jun 2022
Discovering and Explaining the Representation Bottleneck of Graph Neural Networks from Multi-order Interactions Fang Wu Siyuan Li Lirong Wu Dragomir R. Radev Stan Z. Li 27 2 0 15 May 2022
Improving Molecular Representation Learning with Metric Learning-enhanced Optimal Transport Fang Wu Nicolas Courty Shuting Jin Stan Z. Li OOD OT 18 8 0 13 Feb 2022
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Hannes Stärk O. Ganea L. Pattanaik Regina Barzilay Tommi Jaakkola 13 262 0 07 Feb 2022