GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation

6 March 2022

Jian Tang

Papers citing "GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation"

50 / 330 papers shown

Title
Taming Score-Based Diffusion Priors for Infinite-Dimensional Nonlinear Inverse Problems Lorenzo Baldassari Ali Siahkoohi Josselin Garnier K. Sølna Maarten V. de Hoop DiffM 39 1 0 24 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 48 16 0 23 May 2024
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose Michael Kilgour Mark Tuckerman J. Rogal 35 0 0 22 May 2024
Discrete-state Continuous-time Diffusion for Graph Generation Zhe Xu Ruizhong Qiu Yuzhong Chen Huiyuan Chen Xiran Fan Menghai Pan Zhichen Zeng Mahashweta Das Hanghang Tong 46 10 0 19 May 2024
SubGDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning Jiying Zhang Zijing Liu Yu Wang Yu Li DiffM 47 1 0 09 May 2024
AdsorbDiff: Adsorbate Placement via Conditional Denoising Diffusion Adeesh Kolluru John R. Kitchin DiffM 47 4 0 07 May 2024
Hyperbolic Geometric Latent Diffusion Model for Graph Generation Xingcheng Fu Yisen Gao Yuecen Wei Qingyun Sun Hao Peng Jianxin Li Xianxian Li 37 4 0 06 May 2024
CogDPM: Diffusion Probabilistic Models via Cognitive Predictive Coding Kaiyuan Chen Xingzhuo Guo Yu Zhang Jianmin Wang Mingsheng Long DiffM 38 1 0 03 May 2024
Lazy Layers to Make Fine-Tuned Diffusion Models More Traceable Haozhe Liu Wentian Zhang Bing Li Bernard Ghanem Jürgen Schmidhuber DiffM WIGM AAML 36 1 0 01 May 2024
A Survey on Diffusion Models for Time Series and Spatio-Temporal Data Yiyuan Yang Ming Jin Haomin Wen Chaoli Zhang Yuxuan Liang ... Bin Yang Zenglin Xu Jiang Bian Shirui Pan Qingsong Wen DiffM AI4TS SyDa 37 39 0 29 Apr 2024
ControlMol: Adding Substruture Control To Molecule Diffusion Models Zhengyang Qi Zijing Liu Jiying Zhang He Cao Yu Li 50 2 0 22 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 35 18 0 18 Apr 2024
Neural Shrödinger Bridge Matching for Pansharpening Zihan Cao Xiao Wu Liang-Jian Deng DiffM 61 2 0 17 Apr 2024
Molecular relaxation by reverse diffusion with time step prediction Khaled Kahouli Stefaan S. P. Hessmann Klaus-Robert Muller Shinichi Nakajima Stefan Gugler Niklas W. A. Gebauer DiffM 41 5 0 16 Apr 2024
An Overview of Diffusion Models: Applications, Guided Generation, Statistical Rates and Optimization Minshuo Chen Song Mei Jianqing Fan Mengdi Wang VLM MedIm DiffM 37 48 0 11 Apr 2024
AUTODIFF: Autoregressive Diffusion Modeling for Structure-based Drug Design Xinze Li Penglei Wang Tianfan Fu Wenhao Gao Chengtao Li Leilei Shi Junhong Liu 48 2 0 02 Apr 2024
Is Model Collapse Inevitable? Breaking the Curse of Recursion by Accumulating Real and Synthetic Data Matthias Gerstgrasser Rylan Schaeffer Apratim Dey Rafael Rafailov Henry Sleight ... Andrey Gromov Daniel A. Roberts Diyi Yang D. Donoho Oluwasanmi Koyejo 28 52 0 01 Apr 2024
RL for Consistency Models: Faster Reward Guided Text-to-Image Generation Owen Oertell Jonathan D. Chang Yiyi Zhang Kianté Brantley Wen Sun EGVM 44 4 0 25 Mar 2024
Physics-Informed Diffusion Models Jan-Hendrik Bastek WaiChing Sun D. Kochmann DiffM AI4CE 47 11 0 21 Mar 2024
Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks Yuxuan Song Jingjing Gong Yanru Qu Hao Zhou Mingyue Zheng Jingjing Liu Wei-Ying Ma 35 10 0 17 Mar 2024
Large Generative Model Assisted 3D Semantic Communication Feibo Jiang Yubo Peng Li Dong Kezhi Wang Kun Yang Cunhua Pan Xiaohu You 33 7 0 09 Mar 2024
On Diffusion Process in SE(3)-invariant Space Zihan Zhou Ruiying Liu Jiachen Zheng Xiaoxue Wang Tianshu Yu DiffM 34 1 0 03 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 34 20 0 01 Mar 2024
Retrieval-Augmented Generation for AI-Generated Content: A Survey Penghao Zhao Hailin Zhang Qinhan Yu Zhengren Wang Yunteng Geng Fangcheng Fu Ling Yang Wentao Zhang Jie Jiang Tengjiao Wang 3DV 115 228 0 29 Feb 2024
Structure Preserving Diffusion Models Haoye Lu S. Szabados Yaoliang Yu DiffM 61 2 0 29 Feb 2024
Structure-Guided Adversarial Training of Diffusion Models Ling Yang Haotian Qian Zhilong Zhang Jingwei Liu Tengjiao Wang 25 10 0 27 Feb 2024
Graph Learning with Distributional Edge Layouts Xinjian Zhao Chaolong Ying Tianshu Yu 31 0 0 26 Feb 2024
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design Jiaqi Guan Xiangxin Zhou Yuwei Yang Yu Bao Jian-wei Peng Jianzhu Ma Qiang Liu Liang Wang Quanquan Gu 40 68 0 26 Feb 2024
Zero Shot Molecular Generation via Similarity Kernels Rokas Elijosius Fabian Zills Ilyes Batatia Sam Walton Norwood D. P. Kovács Christian Holm Gábor Csányi DiffM 41 3 0 13 Feb 2024
A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation Xiangru Tang Howard Dai Elizabeth Knight Fang Wu Yunyang Li Tianxiao Li Mark B. Gerstein 24 25 0 13 Feb 2024
Sequential Flow Straightening for Generative Modeling Jongmin Yoon Juho Lee 29 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 40 41 0 09 Feb 2024
Time Series Diffusion in the Frequency Domain Jonathan Crabbé Nicolas Huynh Jan Stanczuk M. Schaar DiffM 21 11 0 08 Feb 2024
Social Physics Informed Diffusion Model for Crowd Simulation Hongyi Chen Jingtao Ding Yong Li Yue Wang Xiao-Ping Zhang AI4CE 36 13 0 08 Feb 2024
Space Group Constrained Crystal Generation Rui Jiao Wenbing Huang Yu Liu Deli Zhao Yang Liu 27 29 0 06 Feb 2024
Pard: Permutation-Invariant Autoregressive Diffusion for Graph Generation Lingxiao Zhao Xueying Ding L. Akoglu DiffM 26 8 0 06 Feb 2024
Weisfeiler Leman for Euclidean Equivariant Machine Learning Snir Hordan Tal Amir Nadav Dym 44 5 0 04 Feb 2024
Diffusion-based Graph Generative Methods Hongyang Chen Can Xu Lingyu Zheng Qiang Zhang Xuemin Lin DiffM MedIm 32 0 0 28 Jan 2024
Equivariant Graph Neural Operator for Modeling 3D Dynamics Minkai Xu Jiaqi Han Aaron Lou Jean Kossaifi Arvind Ramanathan Kamyar Azizzadenesheli J. Leskovec Stefano Ermon A. Anandkumar AI4CE 37 16 0 19 Jan 2024
DTIAM: A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms Zhangli Lu Chuqi Lei Kaili Wang Libo Qin Jing Tang Min Li 24 1 0 23 Dec 2023
Pre-training of Molecular GNNs via Conditional Boltzmann Generator Daiki Koge N. Ono Shigehiko Kanaya AI4CE 14 0 0 20 Dec 2023
Vector Field Oriented Diffusion Model for Crystal Material Generation Astrid Klipfel Yael Fregier A. Sayede Zied Bouraoui DiffM 19 4 0 20 Dec 2023
Autoregressive fragment-based diffusion for pocket-aware ligand design Mahdi Ghorbani Leo Gendelev Paul Beroza Michael J. Keiser DiffM 31 8 0 15 Dec 2023
Time Series Diffusion Method: A Denoising Diffusion Probabilistic Model for Vibration Signal Generation H. Yi Lei Hou Yuhong Jin N. A. Saeed Ali Kandil Hao Duan DiffM 31 21 0 13 Dec 2023
One-Step Diffusion Distillation via Deep Equilibrium Models Zhengyang Geng Ashwini Pokle Trevor Killeen 34 28 0 12 Dec 2023
Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models H. Kwon Tim Hsu Wenyu Sun Wonseok Jeong Fikret Aydin ... Xiao Chen Matthew R. Carbone Deyu Lu Fei Zhou Tuan Anh Pham DiffM 30 9 0 09 Dec 2023
DiffusionSat: A Generative Foundation Model for Satellite Imagery Samar Khanna Patrick Liu Linqi Zhou Chenlin Meng Robin Rombach Marshall Burke David B. Lobell Stefano Ermon 26 57 0 06 Dec 2023
DiffiT: Diffusion Vision Transformers for Image Generation Ali Hatamizadeh Jiaming Song Guilin Liu Jan Kautz Arash Vahdat 34 66 0 04 Dec 2023
DiffuseBot: Breeding Soft Robots With Physics-Augmented Generative Diffusion Models Tsun-Hsuan Wang Juntian Zheng Pingchuan Ma Yilun Du Byungchul Kim Andrew Spielberg Josh Tenenbaum Chuang Gan Daniela Rus AI4CE 29 24 0 28 Nov 2023
Elijah: Eliminating Backdoors Injected in Diffusion Models via Distribution Shift Shengwei An Sheng-Yen Chou Kaiyuan Zhang Qiuling Xu Guanhong Tao ... Shuyang Cheng Shiqing Ma Pin-Yu Chen Tsung-Yi Ho Xiangyu Zhang DiffM AAML 30 28 0 27 Nov 2023