EGR: Equivariant Graph Refinement and Assessment of 3D Protein Complex Structures

20 May 2022

Papers citing "EGR: Equivariant Graph Refinement and Assessment of 3D Protein Complex Structures"

27 / 27 papers shown

Title
Multi-Scale Representation Learning on Proteins Vignesh Ram Somnath Charlotte Bunne Andreas Krause 55 94 0 04 Apr 2022
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Hannes Stärk O. Ganea L. Pattanaik Regina Barzilay Tommi Jaakkola 64 265 0 07 Feb 2022
AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor Fengzhi Ren Xiao Ding Mingzhong Zheng M. Korzinkin Xin Cai ... Ju Wang F. Pun Alán Aspuru-Guzik M. Levitt Alex Zhavoronkov 37 14 0 21 Jan 2022
Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking O. Ganea Xinyuan Huang Charlotte Bunne Yatao Bian Regina Barzilay Tommi Jaakkola Andreas Krause 64 154 0 15 Nov 2021
Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design Wengong Jin Jeremy Wohlwend Regina Barzilay Tommi Jaakkola 46 138 0 09 Oct 2021
Geometric and Physical Quantities Improve E(3) Equivariant Message Passing Johannes Brandstetter Rob D. Hesselink Elise van der Pol Erik J. Bekkers Max Welling 78 237 0 06 Oct 2021
Geometric Transformers for Protein Interface Contact Prediction Alex Morehead Chen Chen Jianlin Cheng 59 28 0 06 Oct 2021
DIPS-Plus: The Enhanced Database of Interacting Protein Structures for Interface Prediction Alex Morehead Chen Chen A. Sedova Jianlin Cheng 29 24 0 06 Jun 2021
E(n) Equivariant Normalizing Flows Victor Garcia Satorras Emiel Hoogeboom F. Fuchs Ingmar Posner Max Welling BDL 51 173 0 19 May 2021
Generalization capabilities of translationally equivariant neural networks S. S. Krishna Chaitanya Bulusu Matteo Favoni A. Ipp David I. Müller Daniel Schuh AI4CE 60 21 0 26 Mar 2021
E(n) Equivariant Graph Neural Networks Victor Garcia Satorras Emiel Hoogeboom Max Welling 71 997 0 19 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 273 1,267 0 08 Jan 2021
Protein model quality assessment using rotation-equivariant, hierarchical neural networks Stephan Eismann Patricia Suriana Bowen Jing Raphael J. L. Townshend R. Dror 23 13 0 27 Nov 2020
Learning from Protein Structure with Geometric Vector Perceptrons Bowen Jing Stephan Eismann Patricia Suriana Raphael J. L. Townshend R. Dror GNN 3DV 54 477 0 03 Sep 2020
SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks F. Fuchs Daniel E. Worrall Volker Fischer Max Welling 3DPC 107 683 0 18 Jun 2020
Longformer: The Long-Document Transformer Iz Beltagy Matthew E. Peters Arman Cohan RALM VLM 102 3,996 0 10 Apr 2020
PyTorch: An Imperative Style, High-Performance Deep Learning Library Adam Paszke Sam Gross Francisco Massa Adam Lerer James Bradbury ... Sasank Chilamkurthy Benoit Steiner Lu Fang Junjie Bai Soumith Chintala ODL 302 42,038 0 03 Dec 2019
An Alternative Probabilistic Interpretation of the Huber Loss Gregory P. Meyer 49 105 0 05 Nov 2019
Fast Graph Representation Learning with PyTorch Geometric Matthias Fey J. E. Lenssen 3DH GNN 3DPC 177 4,303 0 06 Mar 2019
Relational inductive biases, deep learning, and graph networks Peter W. Battaglia Jessica B. Hamrick V. Bapst Alvaro Sanchez-Gonzalez V. Zambaldi ... Pushmeet Kohli M. Botvinick Oriol Vinyals Yujia Li Razvan Pascanu AI4CE NAI 479 3,101 0 04 Jun 2018
Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds Nathaniel Thomas Tess E. Smidt S. Kearnes Lusann Yang Li Li Kai Kohlhoff Patrick F. Riley 3DPC 78 959 0 22 Feb 2018
Learning Inductive Biases with Simple Neural Networks Reuben Feinman Brenden M. Lake 36 36 0 08 Feb 2018
Attention Is All You Need Ashish Vaswani Noam M. Shazeer Niki Parmar Jakob Uszkoreit Llion Jones Aidan Gomez Lukasz Kaiser Illia Polosukhin 3DV 506 129,831 0 12 Jun 2017
Interpretable Learning for Self-Driving Cars by Visualizing Causal Attention Jinkyu Kim John F. Canny FAtt XAI OOD MILM CML 71 334 0 30 Mar 2017
Rotation equivariant vector field networks Diego Marcos Michele Volpi N. Komodakis D. Tuia 58 269 0 29 Dec 2016
Group Equivariant Convolutional Networks Taco S. Cohen Max Welling BDL 129 1,917 0 24 Feb 2016
In Search of the Real Inductive Bias: On the Role of Implicit Regularization in Deep Learning Behnam Neyshabur Ryota Tomioka Nathan Srebro AI4CE 84 655 0 20 Dec 2014