E(n) Equivariant Normalizing Flows

19 May 2021

Victor Garcia Satorras

Papers citing "E(n) Equivariant Normalizing Flows"

34 / 34 papers shown

Title
GEOM-Drugs Revisited: Toward More Chemically Accurate Benchmarks for 3D Molecule Generation Filipp Nikitin Ian Dunn D. Koes Olexandr Isayev 89 0 0 30 Apr 2025
Clifford Group Equivariant Diffusion Models for 3D Molecular Generation Cong Liu Sharvaree P. Vadgama David Ruhe Erik J Bekkers Patrick Forré DiffM 22 0 0 22 Apr 2025
SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models Daniel Levy Siba Smarak Panigrahi Sékou-Oumar Kaba Qiang Zhu Kin Long Kelvin Lee Mikhail Galkin Santiago Miret Siamak Ravanbakhsh 158 11 0 05 Feb 2025
Text2Data: Low-Resource Data Generation with Textual Control Shiyu Wang Yihao Feng Tian Lan Ning Yu Yu Bai R. Xu H. Wang Caiming Xiong S. DiffM 80 0 0 03 Jan 2025
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules Shikun Feng Yuyan Ni Yan Lu Zhi-Ming Ma Wei-Ying Ma Yanyan Lan 34 5 0 14 Oct 2024
Chemistry-Inspired Diffusion with Non-Differentiable Guidance Yuchen Shen Chenhao Zhang Sijie Fu Chenghui Zhou Newell Washburn Barnabás Póczos 48 0 0 09 Oct 2024
Geometric Representation Condition Improves Equivariant Molecule Generation Zian Li Cai Zhou Xiyuan Wang Xingang Peng Muhan Zhang 37 1 0 04 Oct 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
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
Probabilistic Forecasting of Irregular Time Series via Conditional Flows Vijaya Krishna Yalavarthi Randolf Scholz Stefan Born Lars Schmidt-Thieme AI4TS 30 0 0 09 Feb 2024
Iterated Denoising Energy Matching for Sampling from Boltzmann Densities Tara Akhound-Sadegh Jarrid Rector-Brooks A. Bose Sarthak Mittal Pablo Lemos ... Siamak Ravanbakhsh Gauthier Gidel Yoshua Bengio Nikolay Malkin Alexander Tong DiffM 32 41 0 09 Feb 2024
AI-Generated Content (AIGC) for Various Data Modalities: A Survey Lin Geng Foo Hossein Rahmani J. Liu 65 31 0 27 Aug 2023
SE(3) Equivariant Augmented Coupling Flows Laurence I. Midgley Vincent Stimper Javier Antorán Emile Mathieu Bernhard Schölkopf José Miguel Hernández-Lobato 30 22 0 20 Aug 2023
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning Xiangzhe Kong Wen-bing Huang Yang Liu 18 13 0 02 Jun 2023
Statistical Guarantees of Group-Invariant GANs Ziyu Chen M. Katsoulakis Luc Rey-Bellet Wei-wei Zhu 32 2 0 22 May 2023
Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files Daniel Flam-Shepherd Alán Aspuru-Guzik 17 51 0 09 May 2023
Semi-Equivariant Conditional Normalizing Flows Eyal Rozenberg Daniel Freedman 22 0 0 13 Apr 2023
Neural Diffeomorphic Non-uniform B-spline Flows S. Hong S. Chun 22 1 0 07 Apr 2023
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation Clément Vignac Nagham Osman Laura Toni P. Frossard DiffM 35 50 0 17 Feb 2023
Sample Complexity of Probability Divergences under Group Symmetry Ziyu Chen M. Katsoulakis Luc Rey-Bellet Weixia Zhu 18 10 0 03 Feb 2023
Rigid Body Flows for Sampling Molecular Crystal Structures Jonas Köhler Michele Invernizzi P. D. Haan Frank Noé AI4CE 25 27 0 26 Jan 2023
E(n)-equivariant Graph Neural Cellular Automata G. Gala Daniele Grattarola Erik Quaeghebeur GNN 34 3 0 25 Jan 2023
An Analysis of Attention via the Lens of Exchangeability and Latent Variable Models Yufeng Zhang Boyi Liu Qi Cai Lingxiao Wang Zhaoran Wang 40 11 0 30 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 16 60 0 21 Nov 2022
NVDiff: Graph Generation through the Diffusion of Node Vectors Xiaohui Chen Yukun Li Aonan Zhang Liping Liu DiffM 15 21 0 19 Nov 2022
Equivariant Networks for Crystal Structures Sekouba Kaba Siamak Ravanbakhsh AI4CE 25 23 0 15 Nov 2022
Semi-Equivariant Continuous Normalizing Flows for Target-Aware Molecule Generation Eyal Rozenberg Daniel Freedman 16 0 0 09 Nov 2022
A tradeoff between universality of equivariant models and learnability of symmetries Vasco Portilheiro 25 2 0 17 Oct 2022
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design Keir Adams Connor W. Coley 34 25 0 06 Oct 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 179 63 0 30 Sep 2022
The Cosmic Graph: Optimal Information Extraction from Large-Scale Structure using Catalogues T. Lucas Makinen Tom Charnock Pablo Lemos Natalia Porqueres A. Heavens Benjamin Dan Wandelt 20 26 0 11 Jul 2022
Cluster Generation via Deep Energy-Based Model A. Y. Artsukevich S. Lepeshkin 16 0 0 17 Jun 2022
SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators Karolis Martinkus Andreas Loukas Nathanael Perraudin Roger Wattenhofer 27 66 0 04 Apr 2022
Semi-Discrete Normalizing Flows through Differentiable Tessellation Ricky T. Q. Chen Brandon Amos Maximilian Nickel 22 10 0 14 Mar 2022