Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks

Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks

17 March 2024

Papers citing "Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks"

14 / 14 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 21 0 0 12 May 2025
UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion Gongbo Zhang Y. Li Renqian Luo Pipi Hu Zeru Zhao ... Maik Riechert Li-ming Yuan Lei Chen Haiguang Liu Tao Qin DiffM 42 0 0 09 Mar 2025
PhysicsGen: Can Generative Models Learn from Images to Predict Complex Physical Relations? M. Spitznagel Jan Vaillant J. Keuper AI4CE VGen PINN 66 0 0 07 Mar 2025
Marked Temporal Bayesian Flow Point Processes Hui Chen Xuhui Fan Hengyu Liu Longbing Cao AI4TS 21 0 0 25 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
CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph Haitao Lin Guojiang Zhao Odin Zhang Yufei Huang Lirong Wu Zicheng Liu Siyuan Li Cheng Tan Zhifeng Gao Stan Z. Li 27 2 0 16 Jun 2024
ParamReL: Learning Parameter Space Representation via Progressively Encoding Bayesian Flow Networks Zhangkai Wu Xuhui Fan Jin Li Zhilin Zhao Hui Chen LongBing Cao 36 2 0 24 May 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
Diffusion-Driven Domain Adaptation for Generating 3D Molecules Haokai Hong Wanyu Lin Kay Chen Tan DiffM 34 2 0 01 Apr 2024
Geometric Latent Diffusion Models for 3D Molecule Generation Minkai Xu Alexander Powers R. Dror Stefano Ermon J. Leskovec DiffM AI4CE 45 131 0 02 May 2023
Diffusion-LM Improves Controllable Text Generation Xiang Lisa Li John Thickstun Ishaan Gulrajani Percy Liang Tatsunori B. Hashimoto AI4CE 171 768 0 27 May 2022
Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models N. Anand Tudor Achim DiffM 183 170 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 184 162 0 10 Sep 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,329 0 12 Feb 2018