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Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug
  Discovery

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery

4 June 2021
Yulun Wu
Mikaela Cashman
Nicholas Choma
E. Prates
V. G. M. Vergara
M. Shah
A. Chen
Austin R. Clyde
Thomas Brettin
W. A. Jong
Neeraj Kumar
M. Head
Rick L. Stevens
Peter Nugent
Daniel A. Jacobson
James B. Brown
    GNN
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Papers citing "Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery"

6 / 6 papers shown
Title
Predicting Cellular Responses with Variational Causal Inference and Refined Relational Information
Predicting Cellular Responses with Variational Causal Inference and Refined Relational Information
Yulun Wu
Robert A. Barton
Zichen Wang
V. Ioannidis
Carlo De Donno
Layne Price
L. Voloch
George Karypis
BDL
CML
31
10
0
30 Sep 2022
Geom-GCN: Geometric Graph Convolutional Networks
Geom-GCN: Geometric Graph Convolutional Networks
Hongbin Pei
Bingzhen Wei
Kevin Chen-Chuan Chang
Yu Lei
Bo Yang
GNN
167
1,058
0
13 Feb 2020
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation
  Models
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Daniil Polykovskiy
Alexander Zhebrak
Benjamín Sánchez-Lengeling
Sergey Golovanov
Oktai Tatanov
...
Simon Johansson
Hongming Chen
Sergey I. Nikolenko
Alán Aspuru-Guzik
Alex Zhavoronkov
ELM
167
628
0
29 Nov 2018
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
184
878
0
07 Jun 2018
Conditional molecular design with deep generative models
Conditional molecular design with deep generative models
Seokho Kang
Kyunghyun Cho
BDL
147
182
0
30 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
211
1,329
0
12 Feb 2018
1