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Structure-based Drug Design with Equivariant Diffusion Models

Structure-based Drug Design with Equivariant Diffusion Models

24 October 2022
Arne Schneuing
Yuanqi Du
Charles Harris
Arian R. Jamasb
Ilia Igashov
Weitao Du
Tom L. Blundell
Pietro Lió
Carla P. Gomes
Max Welling
Michael M. Bronstein
B. Correia
    DiffM
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Papers citing "Structure-based Drug Design with Equivariant Diffusion Models"

18 / 118 papers shown
Title
A Survey on Protein Representation Learning: Retrospect and Prospect
A Survey on Protein Representation Learning: Retrospect and Prospect
Lirong Wu
Yu-Feng Huang
H. Lin
Stan Z. Li
AI4TS
33
12
0
31 Dec 2022
Structure-based drug discovery with deep learning
Structure-based drug discovery with deep learning
Rıza Özçelik
D. V. Tilborg
José Jiménez-Luna
F. Grisoni
AI4CE
21
35
0
26 Dec 2022
DiffusionDet: Diffusion Model for Object Detection
DiffusionDet: Diffusion Model for Object Detection
Shoufa Chen
Pei Sun
Yibing Song
Ping Luo
63
443
0
17 Nov 2022
Geometry-Complete Perceptron Networks for 3D Molecular Graphs
Geometry-Complete Perceptron Networks for 3D Molecular Graphs
Alex Morehead
Jianlin Cheng
GNN
3DV
AI4CE
29
12
0
04 Nov 2022
Structure-based drug design with geometric deep learning
Structure-based drug design with geometric deep learning
Clemens Isert
Kenneth Atz
G. Schneider
53
104
0
19 Oct 2022
Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design
Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design
Ilia Igashov
Hannes Stärk
Clément Vignac
Victor Garcia Satorras
P. Frossard
Max Welling
Michael M. Bronstein
B. Correia
DiffM
39
84
0
11 Oct 2022
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Gabriele Corso
Hannes Stärk
Bowen Jing
Regina Barzilay
Tommi Jaakkola
DiffM
139
410
0
04 Oct 2022
State-specific protein-ligand complex structure prediction with a
  multi-scale deep generative model
State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Zhuoran Qiao
Weili Nie
Arash Vahdat
Thomas F. Miller
Anima Anandkumar
DiffM
33
84
0
30 Sep 2022
A Survey on Generative Diffusion Model
A Survey on Generative Diffusion Model
Hanqun Cao
Cheng Tan
Zhangyang Gao
Yilun Xu
Guangyong Chen
Pheng-Ann Heng
Stan Z. Li
MedIm
37
206
0
06 Sep 2022
Diffusion Models: A Comprehensive Survey of Methods and Applications
Diffusion Models: A Comprehensive Survey of Methods and Applications
Ling Yang
Zhilong Zhang
Yingxia Shao
Shenda Hong
Runsheng Xu
Yue Zhao
Wentao Zhang
Bin Cui
Ming-Hsuan Yang
DiffM
MedIm
224
1,304
0
02 Sep 2022
A Flexible Diffusion Model
A Flexible Diffusion Model
Weitao Du
Tao Yang
Heidi Zhang
Yuanqi Du
DiffM
25
11
0
17 Jun 2022
Protein Structure and Sequence Generation with Equivariant Denoising
  Diffusion Probabilistic Models
Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models
N. Anand
Tudor Achim
DiffM
187
173
0
26 May 2022
A 3D Generative Model for Structure-Based Drug Design
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
RePaint: Inpainting using Denoising Diffusion Probabilistic Models
RePaint: Inpainting using Denoising Diffusion Probabilistic Models
Andreas Lugmayr
Martin Danelljan
Andrés Romero
F. I. F. Richard Yu
Radu Timofte
Luc Van Gool
DiffM
218
1,355
0
24 Jan 2022
Structure-aware generation of drug-like molecules
Structure-aware generation of drug-like molecules
Pavol Drotár
Arian R. Jamasb
Ben Day
Cătălina Cangea
Pietro Lió
26
17
0
07 Nov 2021
Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges
Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges
M. Bronstein
Joan Bruna
Taco S. Cohen
Petar Velivcković
GNN
174
1,106
0
27 Apr 2021
Diffusion Probabilistic Models for 3D Point Cloud Generation
Diffusion Probabilistic Models for 3D Point Cloud Generation
Shitong Luo
Wei Hu
3DPC
180
721
0
02 Mar 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate
  Interatomic Potentials
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials
Simon L. Batzner
Albert Musaelian
Lixin Sun
Mario Geiger
J. Mailoa
M. Kornbluth
N. Molinari
Tess E. Smidt
Boris Kozinsky
203
1,240
0
08 Jan 2021
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