A Transformer-based Generative Model for De Novo Molecular Design

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A Transformer-based Generative Model for De Novo Molecular Design

17 October 2022

Simone Sciabola

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Papers citing "A Transformer-based Generative Model for De Novo Molecular Design"

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Title
Enhancing the Locality and Breaking the Memory Bottleneck of Transformer on Time Series Forecasting Shiyang Li Xiaoyong Jin Yao Xuan Xiyou Zhou Wenhu Chen Yu Wang Xifeng Yan AI4TS 107 1,420 0 29 Jun 2019
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 259 651 0 29 Nov 2018
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 112 708 0 22 Nov 2018
Molecular generative model based on conditional variational autoencoder for de novo molecular design Jaechang Lim Seongok Ryu Jin Woo Kim W. Kim BDL DRL 60 333 0 15 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 352 1,368 0 12 Feb 2018
Deep Reinforcement Learning for De-Novo Drug Design Mariya Popova Olexandr Isayev Alexander Tropsha 88 1,031 0 29 Nov 2017
Molecular Generation with Recurrent Neural Networks (RNNs) E. Bjerrum Richard Threlfall 62 113 0 12 May 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 126 1,014 0 25 Apr 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 164 2,932 0 07 Oct 2016
Google's Neural Machine Translation System: Bridging the Gap between Human and Machine Translation Yonghui Wu M. Schuster Zhiwen Chen Quoc V. Le Mohammad Norouzi ... Alex Rudnick Oriol Vinyals G. Corrado Macduff Hughes J. Dean AIMat 897 6,790 0 26 Sep 2016
Pointer Sentinel Mixture Models Stephen Merity Caiming Xiong James Bradbury R. Socher RALM 328 2,876 0 26 Sep 2016
Incorporating Copying Mechanism in Sequence-to-Sequence Learning Jiatao Gu Zhengdong Lu Hang Li Victor O.K. Li 194 1,539 0 21 Mar 2016
Adversarial Autoencoders Alireza Makhzani Jonathon Shlens Navdeep Jaitly Ian Goodfellow Brendan J. Frey GAN 86 2,224 0 18 Nov 2015
A Neural Attention Model for Abstractive Sentence Summarization Alexander M. Rush S. Chopra Jason Weston CVBM 186 2,700 0 02 Sep 2015
Pointer Networks Oriol Vinyals Meire Fortunato Navdeep Jaitly 121 3,055 0 09 Jun 2015
Empirical Evaluation of Gated Recurrent Neural Networks on Sequence Modeling Junyoung Chung Çağlar Gülçehre Kyunghyun Cho Yoshua Bengio 591 12,713 0 11 Dec 2014
Sequence to Sequence Learning with Neural Networks Ilya Sutskever Oriol Vinyals Quoc V. Le AIMat 437 20,568 0 10 Sep 2014
Neural Machine Translation by Jointly Learning to Align and Translate Dzmitry Bahdanau Kyunghyun Cho Yoshua Bengio AIMat 558 27,311 0 01 Sep 2014
Generating Sequences With Recurrent Neural Networks Alex Graves GAN 155 4,034 0 04 Aug 2013