e3nn: Euclidean Neural Networks

18 July 2022

Papers citing "e3nn: Euclidean Neural Networks"

50 / 96 papers shown

Title
Learning from spatially inhomogenous data: resolution-adaptive convolutions for multiple sclerosis lesion segmentation I. Díaz Florin Scherer Yanik Berli Roland Wiest Helly Hammer Robert Hoepner Alejandro Leon Betancourt Piotr Radojewski Richard McKinley 32 0 0 26 Mar 2025
ELECTRA: A Symmetry-breaking Cartesian Network for Charge Density Prediction with Floating Orbitals Jonas Elsborg Luca Thiede Alán Aspuru-Guzik T. Vegge Arghya Bhowmik 36 0 0 11 Mar 2025
RiboGen: RNA Sequence and Structure Co-Generation with Equivariant MultiFlow Dana Rubin Allan dos Santos Costa Manvitha Ponnapati J. Jacobson 36 0 0 03 Mar 2025
Generalization Bounds for Equivariant Networks on Markov Data Hui Li Zhiguo Wang Bohui Chen Li Sheng 29 0 0 01 Mar 2025
Generative Modeling on Lie Groups via Euclidean Generalized Score Matching Marco Bertolini Tuan Le Djork-Arné Clevert DiffM 81 0 0 04 Feb 2025
Learning local equivariant representations for quantum operators Zhanghao Zhouyin Zixi Gan MingKang Liu S. K. Pandey Linfeng Zhang Qiangqiang Gu 72 3 0 28 Jan 2025
Group Ligands Docking to Protein Pockets Jiaqi Guan Jiahan Li Xiangxin Zhou Xingang Peng Sheng Wang Yunan Luo Jian-wei Peng Jianzhu Ma 33 0 0 28 Jan 2025
Generative diffusion model with inverse renormalization group flows Kanta Masuki Yuto Ashida DiffM 68 0 0 17 Jan 2025
Score-based 3D molecule generation with neural fields Matthieu Kirchmeyer Pedro H. O. Pinheiro Saeed Saremi DiffM 43 0 0 15 Jan 2025
The Importance of Being Scalable: Improving the Speed and Accuracy of Neural Network Interatomic Potentials Across Chemical Domains Eric Qu Aditi S. Krishnapriyan LRM 26 10 0 31 Oct 2024
FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions Anuroop Sriram Benjamin Kurt Miller Ricky T. Q. Chen Brandon M. Wood AI4CE 37 13 0 30 Oct 2024
A Cosmic-Scale Benchmark for Symmetry-Preserving Data Processing Julia Balla S. Mishra-Sharma C. Cuesta-Lázaro Tommi Jaakkola Tess E. Smidt 29 1 0 27 Oct 2024
Diffusion for Multi-Embodiment Grasping Roman Freiberg Alexander Qualmann Ngo Anh Vien Gerhard Neumann 29 3 0 24 Oct 2024
$Music102: An $D_{12}$-equivariant transformer for chord progression accompaniment$ Music102: An $D_{12}$ -equivariant transformer for chord progression accompaniment Weiliang Luo 32 0 0 23 Oct 2024
JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling Ameya Daigavane Bodhi P. Vani Saeed Saremi J. Kleinhenz Joshua Rackers 42 1 0 18 Oct 2024
Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks? Jiacheng Cen Anyi Li Ning Lin Yuxiang Ren Zihe Wang Wenbing Huang 38 2 0 15 Oct 2024
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants Allan dos Santos Costa Ilan Mitnikov Franco Pellegrini Ameya Daigavane Mario Geiger Zhonglin Cao Karsten Kreis Tess E. Smidt E. Küçükbenli J. Jacobson 32 0 0 12 Oct 2024
E3STO: Orbital Inspired SE(3)-Equivariant Molecular Representation for Electron Density Prediction Ilan Mitnikov Joseph Jacobson 18 0 0 08 Oct 2024
Segment as You Wish -- Free-Form Language-Based Segmentation for Medical Images Longchao Da Rui Wang Xiaojian Xu Parminder Bhatia Taha A. Kass-Hout Hua Wei Cao Xiao VLM MedIm 38 2 0 02 Oct 2024
Loop-Diffusion: an equivariant diffusion model for designing and scoring protein loops Kevin Borisiak Gian Marco Visani Armita Nourmohammad DiffM 24 0 0 26 Sep 2024
Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks Jiayu Peng James K. Damewood Jessica Karaguesian Jaclyn R. Lunger Rafael Gómez-Bombarelli AI4CE 45 2 0 20 Sep 2024
Improved Image Classification with Manifold Neural Networks Caio F. Deberaldini Netto Zhiyang Wang Luana Ruiz AI4CE 25 0 0 19 Sep 2024
SpinMultiNet: Neural Network Potential Incorporating Spin Degrees of Freedom with Multi-Task Learning Koki Ueno Satoru Ohuchi Kazuhide Ichikawa Kei Amii Kensuke Wakasugi 43 0 0 05 Sep 2024
Relaxed Equivariant Graph Neural Networks E. Hofgard Rui Wang Robin Walters Tess E. Smidt 32 1 0 30 Jul 2024
DisCo-Diff: Enhancing Continuous Diffusion Models with Discrete Latents Yilun Xu Gabriele Corso Tommi Jaakkola Arash Vahdat Karsten Kreis 29 12 0 03 Jul 2024
Evaluating representation learning on the protein structure universe Arian R. Jamasb Alex Morehead Chaitanya K. Joshi Zuobai Zhang Kieran Didi ... Charles Harris Jian Tang Jianlin Cheng Pietro Lio Tom L. Blundell SSL 36 12 0 19 Jun 2024
Neural Approximate Mirror Maps for Constrained Diffusion Models Berthy T. Feng Ricardo Baptista Katherine L. Bouman MedIm DiffM 40 3 0 18 Jun 2024
FlowMM: Generating Materials with Riemannian Flow Matching Benjamin Kurt Miller Ricky T. Q. Chen Anuroop Sriram Brandon M. Wood 29 32 0 07 Jun 2024
Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models Zun Wang Chang-Shu Liu Nianlong Zou He Zhang Xinran Wei Lin Huang Lijun Wu Bin Shao 33 1 0 06 Jun 2024
Topological Neural Networks go Persistent, Equivariant, and Continuous Yogesh Verma Amauri H Souza Vikas K. Garg AI4CE 38 4 0 05 Jun 2024
Machine learning Hubbard parameters with equivariant neural networks M. Uhrin A. Zadoks Luca Binci Nicola Marzari I. Timrov 23 6 0 04 Jun 2024
A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction Keqiang Yan Alexandra Saxton Xiaofeng Qian Xiaoning Qian Shuiwang Ji 31 4 0 03 Jun 2024
Flexible SE(2) graph neural networks with applications to PDE surrogates Maria Bånkestad Olof Mogren Aleksis Pirinen 44 1 0 30 May 2024
Multi-task learning for molecular electronic structure approaching coupled-cluster accuracy Hao Tang Brian Xiao Wenhao He Pero Subasic A. Harutyunyan Yao Wang Fang Liu Haowei Xu Ju Li 22 1 0 09 May 2024
Structure-based drug design by denoising voxel grids Pedro H. O. Pinheiro Arian R. Jamasb Omar Mahmood Vishnu Sresht Saeed Saremi DiffM 34 8 0 07 May 2024
PROflow: An iterative refinement model for PROTAC-induced structure prediction Bo Qiang Wenxian Shi Yuxuan Song Menghua Wu 34 1 0 10 Apr 2024
Complete and Efficient Graph Transformers for Crystal Material Property Prediction Keqiang Yan Cong Fu Xiaofeng Qian Xiaoning Qian Shuiwang Ji 41 19 0 18 Mar 2024
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields Yi-Lun Liao Tess E. Smidt Abhishek Das DiffM AI4CE 32 10 0 14 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 32 20 0 01 Mar 2024
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations Raúl P. Peláez Guillem Simeon Raimondas Galvelis Antonio Mirarchi Peter K. Eastman Stefan Doerr Philipp Thölke T. Markland Gianni de Fabritiis AI4CE 30 12 0 27 Feb 2024
Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge Yufei Huang Odin Zhang Lirong Wu Cheng Tan Haitao Lin Zhangyang Gao Siyuan Li Stan. Z. Li DiffM 24 6 0 18 Feb 2024
Self-consistent Validation for Machine Learning Electronic Structure Gengyuan Hu Gengchen Wei Zekun Lou Philip H. S. Torr Wanli Ouyang Han-Sen Zhong Chen Lin 22 1 0 15 Feb 2024
Cartesian atomic cluster expansion for machine learning interatomic potentials Bingqing Cheng 34 30 0 12 Feb 2024
Equivariant Symmetry Breaking Sets YuQing Xie Tess E. Smidt 19 4 0 05 Feb 2024
Generative Model for Constructing Reaction Path from Initial to Final States Akihide Hayashi So Takamoto Ju Li Daisuke Okanohara 17 1 0 19 Jan 2024
Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products Shengjie Luo Tianlang Chen Aditi S. Krishnapriyan 25 19 0 18 Jan 2024
Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms Bowen Jing Tommi Jaakkola Bonnie Berger 13 2 0 07 Dec 2023
Investigating the Behavior of Diffusion Models for Accelerating Electronic Structure Calculations D. Rothchild Andrew S. Rosen Eric Taw Connie Robinson Joseph E. Gonzalez Aditi S. Krishnapriyan DiffM 24 2 0 02 Nov 2023
Learning Interatomic Potentials at Multiple Scales Xiang Fu Albert Musaelian Anders Johansson Tommi Jaakkola Boris Kozinsky 27 2 0 20 Oct 2023
DockGame: Cooperative Games for Multimeric Rigid Protein Docking Vignesh Ram Somnath Pier Giuseppe Sessa María Rodríguez Martínez Andreas Krause 27 1 0 09 Oct 2023