Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models

30 May 2017

G. L. Guimaraes

Benjamín Sánchez-Lengeling

Carlos Outeiral

Pedro Luis Cunha Farias

Alán Aspuru-Guzik

GAN

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Papers citing "Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models"

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Title
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space AkshatKumar Nigam Pascal Friederich Mario Krenn Alán Aspuru-Guzik AI4CE 27 128 0 25 Sep 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 40 201 0 02 Jun 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation Mario Krenn Florian Hase AkshatKumar Nigam Pascal Friederich Alán Aspuru-Guzik 18 70 0 31 May 2019
MolecularRNN: Generating realistic molecular graphs with optimized properties Mariya Popova Mykhailo Shvets Junier Oliva Olexandr Isayev GNN 35 164 0 31 May 2019
Learning to Sample Hard Instances for Graph Algorithms Ryoma Sato M. Yamada H. Kashima 19 1 0 26 Feb 2019
A Comprehensive Survey on Graph Neural Networks Zonghan Wu Shirui Pan Fengwen Chen Guodong Long Chengqi Zhang Philip S. Yu FaML GNN AI4TS AI4CE 163 8,385 0 03 Jan 2019
Learning Multimodal Graph-to-Graph Translation for Molecular Optimization Wengong Jin Kevin Kaichuang Yang Regina Barzilay Tommi Jaakkola 33 224 0 03 Dec 2018
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 197 633 0 29 Nov 2018
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 44 692 0 22 Nov 2018
Physics-Informed Generative Adversarial Networks for Stochastic Differential Equations Siyu Dai Shawn Schaffert Andreas G. Hofmann 12 355 0 05 Nov 2018
Optimization of Molecules via Deep Reinforcement Learning Zhenpeng Zhou S. Kearnes Li Li R. Zare Patrick F. Riley AI4CE 27 533 0 19 Oct 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 206 885 0 07 Jun 2018
MolGAN: An implicit generative model for small molecular graphs Nicola De Cao Thomas Kipf GNN GAN 35 906 0 30 May 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 175 183 0 30 Apr 2018
Bioinformatics and Medicine in the Era of Deep Learning D. Bacciu P. Lisboa José D. Martín R. Stoean A. Vellido AI4CE BDL 33 17 0 27 Feb 2018
Multi-Objective De Novo Drug Design with Conditional Graph Generative Model Yibo Li L. Zhang Zhenming Liu 43 335 0 18 Jan 2018
Overcoming data scarcity with transfer learning Maxwell Hutchinson Erin Antono Brenna M. Gibbons S. Paradiso Julia Ling B. Meredig 20 81 0 02 Nov 2017
Constrained Bayesian Optimization for Automatic Chemical Design Ryan-Rhys Griffiths José Miguel Hernández-Lobato BDL 39 76 0 16 Sep 2017
ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? Mostapha Benhenda GAN 22 102 0 28 Aug 2017
Actively Learning what makes a Discrete Sequence Valid David Janz J. Westhuizen José Miguel Hernández-Lobato 15 22 0 15 Aug 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke O. Engkvist Hongming Chen BDL 49 995 0 25 Apr 2017
Improving Neural Machine Translation with Conditional Sequence Generative Adversarial Nets Zhen-Le Yang Wei Chen Feng Wang Bo Xu GAN AI4CE 36 169 0 15 Mar 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 76 2,885 0 07 Oct 2016
Deep Reinforcement Learning for Dialogue Generation Jiwei Li Will Monroe Alan Ritter Michel Galley Jianfeng Gao Dan Jurafsky 220 1,328 0 05 Jun 2016