Equivariant Flow Matching with Hybrid Probability Transport

12 December 2023

Papers citing "Equivariant Flow Matching with Hybrid Probability Transport"

39 / 39 papers shown

Title
Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule Keyue Qiu Yuxuan Song Zhehuan Fan Peidong Liu Z. Zhang Mingyue Zheng Hao Zhou Wei-Ying Ma 26 0 0 12 May 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
$α$ -Flow: A Unified Framework for Continuous-State Discrete Flow Matching Models Chaoran Cheng Jiahan Li Jiajun Fan Ge Liu 26 0 0 14 Apr 2025
Compositional Flows for 3D Molecule and Synthesis Pathway Co-design Tony Shen Seonghwan Seo Ross Irwin Kieran Didi Simon Olsson Woo Youn Kim Martin Ester 40 0 0 10 Apr 2025
Straight-Line Diffusion Model for Efficient 3D Molecular Generation Yuyan Ni Shikun Feng Haohan Chi Bowen Zheng Huan-ang Gao Wei-Ying Ma Zhi-Ming Ma Yanyan Lan DiffM 68 2 0 04 Mar 2025
A Periodic Bayesian Flow for Material Generation Hanlin Wu Yuxuan Song Jingjing Gong Ziyao Cao Y. Ouyang Jianbing Zhang Hao Zhou Wei-Ying Ma Jingjing Liu DiffM 64 1 0 04 Feb 2025
Unified Guidance for Geometry-Conditioned Molecular Generation Sirine Ayadi Leon Hetzel Johanna Sommer Fabian J. Theis Stephan Günnemann 30 0 0 05 Jan 2025
EmoDubber: Towards High Quality and Emotion Controllable Movie Dubbing Gaoxiang Cong Jiadong Pan Liang-Sheng Li Yuankai Qi Yuxin Peng A. Hengel Jian Yang Qingming Huang 90 6 0 12 Dec 2024
Exploring Discrete Flow Matching for 3D De Novo Molecule Generation Ian Dunn D. Koes 90 4 0 25 Nov 2024
Diffusion Twigs with Loop Guidance for Conditional Graph Generation Giangiacomo Mercatali Yogesh Verma André Freitas Vikas K. Garg 24 3 0 31 Oct 2024
ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation Majdi Hassan Nikhil Shenoy Jungyoon Lee Hannes Stärk Stephan Thaler Dominique Beaini 27 6 0 29 Oct 2024
Training Free Guided Flow Matching with Optimal Control Luran Wang Chaoran Cheng Yizhen Liao Yanru Qu Ge Liu 31 1 0 23 Oct 2024
Efficient Antibody Structure Refinement Using Energy-Guided SE(3) Flow Matching Jiying Zhang Zijing Liu Shengyuan Bai He Cao Yu Li Lei Zhang DiffM 35 1 0 22 Oct 2024
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks N. Kim Seongsu Kim Minsu Kim Jinkyoo Park Sungsoo Ahn AI4CE 33 0 0 07 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
Gen-Swarms: Adapting Deep Generative Models to Swarms of Drones Carlos Plou Pablo Pueyo Ruben Martinez-Cantin Mac Schwager Ana C. Murillo Eduardo Montijano 104 0 0 28 Aug 2024
Transferable Boltzmann Generators Leon Klein Frank Noé 35 12 0 20 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
Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space Mohamed Amine Ketata Nicholas Gao Johanna Sommer Tom Wollschlager Stephan Günnemann DiffM 36 1 0 15 Jun 2024
Variational Flow Matching for Graph Generation Floor Eijkelboom Grigory Bartosh C. A. Naesseth Max Welling Jan Willem van de Meent 31 10 0 07 Jun 2024
Full-Atom Peptide Design based on Multi-modal Flow Matching Jiahan Li Chaoran Cheng Zuofan Wu Ruihan Guo Shitong Luo Zhizhou Ren Jian-wei Peng Jianzhu Ma 40 15 0 02 Jun 2024
Categorical Flow Matching on Statistical Manifolds Chaoran Cheng Jiahan Li Jian-wei Peng Ge Liu 56 10 0 26 May 2024
Fisher Flow Matching for Generative Modeling over Discrete Data Oscar Davis Samuel Kessler Mircea Petrache .Ismail .Ilkan Ceylan Michael M. Bronstein A. Bose 38 16 0 23 May 2024
SubGDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning Jiying Zhang Zijing Liu Yu Wang Yu Li DiffM 39 1 0 09 May 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation Ian Dunn D. Koes BDL DiffM 44 11 0 30 Apr 2024
MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space Yanru Qu Keyue Qiu Yuxuan Song Jingjing Gong Jiawei Han Mingyue Zheng Hao Zhou Wei-Ying Ma 33 18 0 18 Apr 2024
PROflow: An iterative refinement model for PROTAC-induced structure prediction Bo Qiang Wenxian Shi Yuxuan Song Menghua Wu 32 1 0 10 Apr 2024
D-Flow: Differentiating through Flows for Controlled Generation Heli Ben-Hamu Omri Puny Itai Gat Brian Karrer Uriel Singer Y. Lipman 35 23 0 21 Feb 2024
Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation Ameya Daigavane Song Kim Mario Geiger Tess E. Smidt 20 8 0 27 Nov 2023
Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design Hannes Stärk Bowen Jing Regina Barzilay Tommi Jaakkola 31 25 0 09 Oct 2023
Equivariant flow matching Leon Klein Andreas Krämer Frank Noé 16 59 0 26 Jun 2023
A Systematic Survey in Geometric Deep Learning for Structure-based Drug Design Zaixin Zhang Jiaxian Yan Qi Liu Enhong Chen Marinka Zitnik 30 1 0 20 Jun 2023
Geometric Latent Diffusion Models for 3D Molecule Generation Minkai Xu Alexander Powers R. Dror Stefano Ermon J. Leskovec DiffM AI4CE 50 134 0 02 May 2023
Multisample Flow Matching: Straightening Flows with Minibatch Couplings Aram-Alexandre Pooladian Heli Ben-Hamu Carles Domingo-Enrich Brandon Amos Y. Lipman Ricky T. Q. Chen 60 126 0 28 Apr 2023
Rectified Flow: A Marginal Preserving Approach to Optimal Transport Qiang Liu OT 122 85 0 29 Sep 2022
Diffusion-LM Improves Controllable Text Generation Xiang Lisa Li John Thickstun Ishaan Gulrajani Percy Liang Tatsunori B. Hashimoto AI4CE 171 772 0 27 May 2022
Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models N. Anand Tudor Achim DiffM 183 172 0 26 May 2022
Inverse design of 3d molecular structures with conditional generative neural networks Niklas W. A. Gebauer M. Gastegger Stefaan S. P. Hessmann Klaus-Robert Muller Kristof T. Schütt AI4CE 187 166 0 10 Sep 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,332 0 12 Feb 2018