DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based
Drug Design

DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design

26 February 2024

Qiang Liu

Liang Wang

Quanquan Gu

Papers citing "DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design"

15 / 15 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 28 0 0 12 May 2025
A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization Anjie Qiao Hao Zhang Qianmu Yuan Qirui Deng Jingtian Su W. R. Huang Huihao Zhou Guo-Bo Li Z. Wang J. Lei DiffM 31 0 0 09 May 2025
BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation Ali Khodabandeh Yalabadi Mehdi Yazdani-Jahromi O. Garibay 39 0 0 28 Jan 2025
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models Kiwoong Yoo Owen Oertell Junhyun Lee Sanghoon Lee Jaewoo Kang 31 0 0 28 Oct 2024
MF-LAL: Drug Compound Generation Using Multi-Fidelity Latent Space Active Learning Peter Eckmann D. Wu G. Heinzelmann Michael K. Gilson Rose Yu AI4CE 40 0 0 15 Oct 2024
DiffGAD: A Diffusion-based Unsupervised Graph Anomaly Detector Jinghan Li Yuan Gao Jinda Lu Junfeng Fang Congcong Wen Hui Lin Xiang Wang 50 1 0 09 Oct 2024
Generative Flows on Synthetic Pathway for Drug Design Seonghwan Seo Minsu Kim Tony Shen Martin Ester Jinkyoo Park Sungsoo Ahn Woo Youn Kim 39 3 0 06 Oct 2024
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization Siyi Gu Minkai Xu Alexander Powers Weili Nie Tomas Geffner Karsten Kreis J. Leskovec Arash Vahdat Stefano Ermon 48 7 0 01 Jul 2024
Geometric-informed GFlowNets for Structure-Based Drug Design Grayson Lee Tony Shen Martin Ester 29 0 0 16 Jun 2024
On the Challenges and Opportunities in Generative AI Laura Manduchi Kushagra Pandey Robert Bamler Ryan Cotterell Sina Daubener ... F. Wenzel Frank Wood Stephan Mandt Vincent Fortuin Vincent Fortuin 56 17 0 28 Feb 2024
Structure-based Drug Design with Equivariant Diffusion Models Arne Schneuing Yuanqi Du Charles Harris Arian R. Jamasb Ilia Igashov ... Pietro Lió Carla P. Gomes Max Welling Michael M. Bronstein B. Correia DiffM 36 194 0 24 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
Diffusion-LM Improves Controllable Text Generation Xiang Lisa Li John Thickstun Ishaan Gulrajani Percy Liang Tatsunori B. Hashimoto AI4CE 173 776 0 27 May 2022
A 3D Generative Model for Structure-Based Drug Design Shitong Luo Jiaqi Guan Jianzhu Ma Jian-wei Peng DiffM 67 178 0 20 Mar 2022
Argmax Flows and Multinomial Diffusion: Learning Categorical Distributions Emiel Hoogeboom Didrik Nielsen P. Jaini Patrick Forré Max Welling DiffM 207 394 0 10 Feb 2021