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MolGraph: a Python package for the implementation of molecular graphs and graph neural networks with TensorFlow and Keras
21 August 2022
Alexander Kensert
G. Desmet
D. Cabooter
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Papers citing
"MolGraph: a Python package for the implementation of molecular graphs and graph neural networks with TensorFlow and Keras"
3 / 3 papers shown
Title
Benchmarking Graph Neural Networks
Vijay Prakash Dwivedi
Chaitanya K. Joshi
Anh Tuan Luu
T. Laurent
Yoshua Bengio
Xavier Bresson
189
914
0
02 Mar 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
172
1,775
0
02 Mar 2017
Geometric deep learning on graphs and manifolds using mixture model CNNs
Federico Monti
Davide Boscaini
Jonathan Masci
Emanuele Rodolà
Jan Svoboda
M. Bronstein
GNN
251
1,811
0
25 Nov 2016
1