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1906.09427
Cited By
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models
22 June 2019
Guangyong Chen
Pengfei Chen
Chang-Yu Hsieh
Chee-Kong Lee
B. Liao
Renjie Liao
Weiwen Liu
J. Qiu
Qiming Sun
Jie Tang
R. Zemel
Shengyu Zhang
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Papers citing
"Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models"
14 / 14 papers shown
Title
On the Theoretical Expressive Power and the Design Space of Higher-Order Graph Transformers
Cai Zhou
Rose Yu
Yusu Wang
41
7
0
04 Apr 2024
Equivariant Polynomials for Graph Neural Networks
Omri Puny
Derek Lim
B. Kiani
Haggai Maron
Y. Lipman
28
31
0
22 Feb 2023
Does GNN Pretraining Help Molecular Representation?
Ruoxi Sun
Hanjun Dai
Adams Wei Yu
SSL
AI4CE
GNN
6
70
0
13 Jul 2022
SpeqNets: Sparsity-aware Permutation-equivariant Graph Networks
Christopher Morris
Gaurav Rattan
Sandra Kiefer
Siamak Ravanbakhsh
50
40
0
25 Mar 2022
Sign and Basis Invariant Networks for Spectral Graph Representation Learning
Derek Lim
Joshua Robinson
Lingxiao Zhao
Tess E. Smidt
S. Sra
Haggai Maron
Stefanie Jegelka
49
141
0
25 Feb 2022
SPA-GCN: Efficient and Flexible GCN Accelerator with an Application for Graph Similarity Computation
Atefeh Sohrabizadeh
Yuze Chi
Jason Cong
GNN
29
1
0
10 Nov 2021
Reconstruction for Powerful Graph Representations
Leonardo Cotta
Christopher Morris
Bruno Ribeiro
AI4CE
130
78
0
01 Oct 2021
Graph2Graph Learning with Conditional Autoregressive Models
Guan Wang
F. Lauze
Aasa Feragen
CML
GNN
AI4CE
30
2
0
06 Jun 2021
ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations
Weihua Hu
Muhammed Shuaibi
Abhishek Das
Siddharth Goyal
Anuroop Sriram
J. Leskovec
Devi Parikh
C. L. Zitnick
GNN
AI4CE
44
67
0
02 Mar 2021
Molecule Attention Transformer
Lukasz Maziarka
Tomasz Danel
Slawomir Mucha
Krzysztof Rataj
Jacek Tabor
Stanislaw Jastrzebski
16
167
0
19 Feb 2020
A Comprehensive Survey on Graph Neural Networks
Zonghan Wu
Shirui Pan
Fengwen Chen
Guodong Long
Chengqi Zhang
Philip S. Yu
FaML
GNN
AI4TS
AI4CE
159
8,356
0
03 Jan 2019
Representation Learning on Graphs with Jumping Knowledge Networks
Keyulu Xu
Chengtao Li
Yonglong Tian
Tomohiro Sonobe
Ken-ichi Kawarabayashi
Stefanie Jegelka
GNN
267
1,945
0
09 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,338
0
12 Feb 2018
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
172
1,778
0
02 Mar 2017
1