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Weisfeiler-Lehman Embedding for Molecular Graph Neural Networks

Weisfeiler-Lehman Embedding for Molecular Graph Neural Networks

12 June 2020
Katsuhiko Ishiguro
Kenta Oono
K. Hayashi
    GNN
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Papers citing "Weisfeiler-Lehman Embedding for Molecular Graph Neural Networks"

3 / 3 papers shown
Title
Graph Neural Networks with Local Graph Parameters
Graph Neural Networks with Local Graph Parameters
Pablo Barceló
Floris Geerts
Juan L. Reutter
Maksimilian Ryschkov
24
64
0
12 Jun 2021
Junction Tree Variational Autoencoder for Molecular Graph Generation
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
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
1,775
0
02 Mar 2017
1