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MolGraph: a Python package for the implementation of molecular graphs
  and graph neural networks with TensorFlow and Keras

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
ArXivPDFHTML

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
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
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
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