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A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications

A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications

1 March 2024
Jiaqi Han
Jiacheng Cen
Liming Wu
Zongzhao Li
Xiangzhe Kong
Rui Jiao
Ziyang Yu
Tingyang Xu
Fandi Wu
Zihe Wang
Hongteng Xu
Zhewei Wei
Deli Zhao
Yu Rong
Wenbing Huang
Wenbing Huang
    AI4CE
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Papers citing "A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications"

24 / 24 papers shown
Title
Learning local equivariant representations for quantum operators
Learning local equivariant representations for quantum operators
Zhanghao Zhouyin
Zixi Gan
MingKang Liu
S. K. Pandey
Linfeng Zhang
Qiangqiang Gu
70
2
0
28 Jan 2025
On the Expressive Power of Sparse Geometric MPNNs
On the Expressive Power of Sparse Geometric MPNNs
Yonatan Sverdlov
Nadav Dym
40
1
0
02 Jul 2024
E(n) Equivariant Topological Neural Networks
E(n) Equivariant Topological Neural Networks
Claudio Battiloro
Ege Karaismailoglu
Mauricio Tec
George Dasoulas
Michelle Audirac
Francesca Dominici
47
4
0
24 May 2024
Geometric Latent Diffusion Models for 3D Molecule Generation
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
A Systematic Survey of Chemical Pre-trained Models
A Systematic Survey of Chemical Pre-trained Models
Jun-Xiong Xia
Yanqiao Zhu
Yuanqi Du
Stan Z.Li
AI4CE
46
50
0
29 Oct 2022
Physics-aware Graph Neural Network for Accurate RNA 3D Structure
  Prediction
Physics-aware Graph Neural Network for Accurate RNA 3D Structure Prediction
Shuo-feng Zhang
Yang Liu
Lei Xie
16
5
0
28 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
130
399
0
04 Oct 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design
Equivariant Energy-Guided SDE for Inverse Molecular Design
Fan Bao
Min Zhao
Zhongkai Hao
Pei‐Yun Li
Chongxuan Li
Jun Zhu
DiffM
162
62
0
30 Sep 2022
Periodic Graph Transformers for Crystal Material Property Prediction
Periodic Graph Transformers for Crystal Material Property Prediction
Keqiang Yan
Yi Liu
Yu-Ching Lin
Shuiwang Ji
AI4TS
79
82
0
23 Sep 2022
PiFold: Toward effective and efficient protein inverse folding
PiFold: Toward effective and efficient protein inverse folding
Zhangyang Gao
Cheng Tan
Pablo Chacón
Stan Z. Li
AI4CE
59
104
0
22 Sep 2022
Spherical Channels for Modeling Atomic Interactions
Spherical Channels for Modeling Atomic Interactions
C. L. Zitnick
Abhishek Das
Adeesh Kolluru
Janice Lan
Muhammed Shuaibi
Anuroop Sriram
Zachary W. Ulissi
Brandon M. Wood
74
48
0
29 Jun 2022
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic
  Graphs
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Yi-Lun Liao
Tess E. Smidt
73
142
0
23 Jun 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
63
176
0
20 Mar 2022
AlphaDesign: A graph protein design method and benchmark on AlphaFoldDB
AlphaDesign: A graph protein design method and benchmark on AlphaFoldDB
Zhangyang Gao
Cheng Tan
Stan Z. Li
132
52
0
01 Feb 2022
Crystal Diffusion Variational Autoencoder for Periodic Material
  Generation
Crystal Diffusion Variational Autoencoder for Periodic Material Generation
Tian Xie
Xiang Fu
O. Ganea
Regina Barzilay
Tommi Jaakkola
DiffM
BDL
196
224
0
12 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry
Pre-training Molecular Graph Representation with 3D Geometry
Shengchao Liu
Hanchen Wang
Weiyang Liu
Joan Lasenby
Hongyu Guo
Jian Tang
106
294
0
07 Oct 2021
Frame Averaging for Invariant and Equivariant Network Design
Frame Averaging for Invariant and Equivariant Network Design
Omri Puny
Matan Atzmon
Heli Ben-Hamu
Ishan Misra
Aditya Grover
Edward James Smith
Y. Lipman
FedML
33
90
0
07 Oct 2021
Geometric Transformers for Protein Interface Contact Prediction
Geometric Transformers for Protein Interface Contact Prediction
Alex Morehead
Chen Chen
Jianlin Cheng
26
28
0
06 Oct 2021
Inverse design of 3d molecular structures with conditional generative
  neural networks
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
173
125
0
10 Sep 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
183
1,218
0
08 Jan 2021
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
L. Chanussot
Abhishek Das
Siddharth Goyal
Thibaut Lavril
Muhammed Shuaibi
...
Brandon M. Wood
Junwoong Yoon
Devi Parikh
C. L. Zitnick
Zachary W. Ulissi
207
370
0
20 Oct 2020
MoleculeNet: A Benchmark for Molecular Machine Learning
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
152
1,748
0
02 Mar 2017
Interaction Networks for Learning about Objects, Relations and Physics
Interaction Networks for Learning about Objects, Relations and Physics
Peter W. Battaglia
Razvan Pascanu
Matthew Lai
Danilo Jimenez Rezende
Koray Kavukcuoglu
AI4CE
OCL
PINN
GNN
252
1,394
0
01 Dec 2016
U-Net: Convolutional Networks for Biomedical Image Segmentation
U-Net: Convolutional Networks for Biomedical Image Segmentation
Olaf Ronneberger
Philipp Fischer
Thomas Brox
SSeg
3DV
229
74,467
0
18 May 2015
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