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Molecular De Novo Design through Transformer-based Reinforcement
  Learning

Molecular De Novo Design through Transformer-based Reinforcement Learning

9 October 2023
Pengcheng Xu
Tao Feng
Tianfan Fu
Siddhartha Laghuvarapu
Jimeng Sun
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Papers citing "Molecular De Novo Design through Transformer-based Reinforcement Learning"

2 / 2 papers shown
Title
Accelerating high-throughput virtual screening through molecular
  pool-based active learning
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E. Graff
E. Shakhnovich
Connor W. Coley
87
142
0
13 Dec 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,340
0
12 Feb 2018
1