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2403.00485
Cited By
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"
29 / 29 papers shown
Title
CrystalFramer: Rethinking the Role of Frames for SE(3)-Invariant Crystal Structure Modeling
Yusei Ito
Tatsunori Taniai
Ryo Igarashi
Yoshitaka Ushiku
K. Ono
65
0
0
04 Mar 2025
A Survey of Graph Transformers: Architectures, Theories and Applications
Chaohao Yuan
Kangfei Zhao
Ercan Engin Kuruoglu
Liang Wang
Tingyang Xu
Wenbing Huang
Deli Zhao
Hong Cheng
Yu Rong
57
4
0
23 Feb 2025
Learning local equivariant representations for quantum operators
Zhanghao Zhouyin
Zixi Gan
MingKang Liu
S. K. Pandey
Linfeng Zhang
Qiangqiang Gu
101
3
0
28 Jan 2025
Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?
Jiacheng Cen
Anyi Li
Ning Lin
Yuxiang Ren
Zihe Wang
Wenbing Huang
51
2
0
15 Oct 2024
KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction
Longlong Li
Yipeng Zhang
Guanghui Wang
Kelin Xia
42
3
0
15 Oct 2024
Subequivariant Reinforcement Learning in 3D Multi-Entity Physical Environments
Runfa Chen
Ling Wang
Yu Du
Tianrui Xue
Gang Hua
Jianwei Zhang
Wenbing Huang
OffRL
54
1
0
17 Jul 2024
On the Expressive Power of Sparse Geometric MPNNs
Yonatan Sverdlov
Nadav Dym
53
1
0
02 Jul 2024
E(n) Equivariant Topological Neural Networks
Claudio Battiloro
Ege Karaismailoglu
Mauricio Tec
George Dasoulas
Michelle Audirac
Francesca Dominici
57
6
0
24 May 2024
Geometric Latent Diffusion Models for 3D Molecule Generation
Minkai Xu
Alexander Powers
R. Dror
Stefano Ermon
J. Leskovec
DiffM
AI4CE
58
139
0
02 May 2023
A Systematic Survey of Chemical Pre-trained Models
Jun Xia
Yanqiao Zhu
Yuanqi Du
Stan Z.Li
AI4CE
61
51
0
29 Oct 2022
Physics-aware Graph Neural Network for Accurate RNA 3D Structure Prediction
Shuo-feng Zhang
Yang Liu
Lei Xie
21
5
0
28 Oct 2022
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Gabriele Corso
Hannes Stärk
Bowen Jing
Regina Barzilay
Tommi Jaakkola
DiffM
142
412
0
04 Oct 2022
Equivariant Energy-Guided SDE for Inverse Molecular Design
Fan Bao
Min Zhao
Zhongkai Hao
Pei‐Yun Li
Chongxuan Li
Jun Zhu
DiffM
193
64
0
30 Sep 2022
Periodic Graph Transformers for Crystal Material Property Prediction
Keqiang Yan
Yi Liu
Yu-Ching Lin
Shuiwang Ji
AI4TS
90
85
0
23 Sep 2022
PiFold: Toward effective and efficient protein inverse folding
Zhangyang Gao
Cheng Tan
Pablo Chacón
Stan Z. Li
AI4CE
79
104
0
22 Sep 2022
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
84
58
0
29 Jun 2022
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Yi-Lun Liao
Tess E. Smidt
90
217
0
23 Jun 2022
A 3D Generative Model for Structure-Based Drug Design
Shitong Luo
Jiaqi Guan
Jianzhu Ma
Jian-wei Peng
DiffM
72
178
0
20 Mar 2022
AlphaDesign: A graph protein design method and benchmark on AlphaFoldDB
Zhangyang Gao
Cheng Tan
Stan Z. Li
152
52
0
01 Feb 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation
Tian Xie
Xiang Fu
O. Ganea
Regina Barzilay
Tommi Jaakkola
DiffM
BDL
212
233
0
12 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry
Shengchao Liu
Hanchen Wang
Weiyang Liu
Joan Lasenby
Hongyu Guo
Jian Tang
126
304
0
07 Oct 2021
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
54
130
0
07 Oct 2021
Geometric Transformers for Protein Interface Contact Prediction
Alex Morehead
Chen Chen
Jianlin Cheng
40
28
0
06 Oct 2021
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
192
167
0
10 Sep 2021
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
254
1,244
0
08 Jan 2021
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
232
507
0
20 Oct 2020
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
260
1,789
0
02 Mar 2017
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
283
1,401
0
01 Dec 2016
U-Net: Convolutional Networks for Biomedical Image Segmentation
Olaf Ronneberger
Philipp Fischer
Thomas Brox
SSeg
3DV
423
76,039
0
18 May 2015
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