Energy-based View of Retrosynthesis

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Energy-based View of Retrosynthesis

14 July 2020

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Papers citing "Energy-based View of Retrosynthesis"

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Title
RetroXpert: Decompose Retrosynthesis Prediction like a Chemist Chao-chao Yan Qianggang Ding P. Zhao Shuangjia Zheng Jinyu Yang Yang Yu Junzhou Huang 67 107 0 04 Nov 2020
Learning Graph Models for Retrosynthesis Prediction Vignesh Ram Somnath Charlotte Bunne Connor W. Coley Andreas Krause Regina Barzilay 68 92 0 12 Jun 2020
A Graph to Graphs Framework for Retrosynthesis Prediction Chence Shi Minkai Xu Hongyu Guo Ming Zhang Jian Tang 59 154 0 28 Mar 2020
Retrosynthesis Prediction with Conditional Graph Logic Network H. Dai Chengtao Li Connor W. Coley Bo Dai Le Song 61 182 0 06 Jan 2020
Code Generation as a Dual Task of Code Summarization Bolin Wei Ge Li Xin Xia Zhiyi Fu Zhi Jin 74 226 0 14 Oct 2019
XLNet: Generalized Autoregressive Pretraining for Language Understanding Zhilin Yang Zihang Dai Yiming Yang J. Carbonell Ruslan Salakhutdinov Quoc V. Le AI4CE 236 8,447 0 19 Jun 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation Mario Krenn Florian Hase AkshatKumar Nigam Pascal Friederich Alán Aspuru-Guzik 85 71 0 31 May 2019
BERT has a Mouth, and It Must Speak: BERT as a Markov Random Field Language Model Alex Jinpeng Wang Kyunghyun Cho VLM 88 358 0 11 Feb 2019
Molecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction Prediction P. Schwaller Teodoro Laino John McGuinness A. Horváth Constantine Bekas A. Lee 108 741 0 06 Nov 2018
BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding Jacob Devlin Ming-Wei Chang Kenton Lee Kristina Toutanova VLM SSL SSeg 1.8K 95,175 0 11 Oct 2018
Learning to Plan Chemical Syntheses Marwin H. S. Segler Mike Preuss M. Waller 91 1,374 0 14 Aug 2017
Attention Is All You Need Ashish Vaswani Noam M. Shazeer Niki Parmar Jakob Uszkoreit Llion Jones Aidan Gomez Lukasz Kaiser Illia Polosukhin 3DV 730 132,363 0 12 Jun 2017
Retrosynthetic reaction prediction using neural sequence-to-sequence models Bowen Liu Bharath Ramsundar Prasad Kawthekar Jade Shi Joseph Gomes Quang Luu Nguyen Stephen Ho Jack L. Sloane P. Wender Vijay S. Pande 57 419 0 06 Jun 2017
OpenNMT: Open-Source Toolkit for Neural Machine Translation Guillaume Klein Yoon Kim Yuntian Deng Jean Senellart Alexander M. Rush 330 1,900 0 10 Jan 2017
Dual Learning for Machine Translation Yingce Xia Di He Tao Qin Liwei Wang Nenghai Yu Tie-Yan Liu Wei-Ying Ma AI4CE 88 849 0 01 Nov 2016
Adam: A Method for Stochastic Optimization Diederik P. Kingma Jimmy Ba ODL 2.0K 150,312 0 22 Dec 2014
Sequence to Sequence Learning with Neural Networks Ilya Sutskever Oriol Vinyals Quoc V. Le AIMat 443 20,584 0 10 Sep 2014