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Geometric learning of the conformational dynamics of molecules using
  dynamic graph neural networks

Geometric learning of the conformational dynamics of molecules using dynamic graph neural networks

24 June 2021
Michael Ashby
Jenna A. Bilbrey
ArXivPDFHTML

Papers citing "Geometric learning of the conformational dynamics of molecules using dynamic graph neural networks"

3 / 3 papers shown
Title
GraphDF: A Discrete Flow Model for Molecular Graph Generation
GraphDF: A Discrete Flow Model for Molecular Graph Generation
Youzhi Luo
Keqiang Yan
Shuiwang Ji
DRL
185
187
0
01 Feb 2021
Graph Convolutional Policy Network for Goal-Directed Molecular Graph
  Generation
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation
Jiaxuan You
Bowen Liu
Rex Ying
Vijay S. Pande
J. Leskovec
GNN
200
885
0
07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,337
0
12 Feb 2018
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