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Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction


Jun 08, 2021
Hangrui Bi, Hengyi Wang, Chence Shi, Connor Coley, Jian Tang, Hongyu Guo


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Learning Gradient Fields for Molecular Conformation Generation


Jun 07, 2021
Chence Shi, Shitong Luo, Minkai Xu, Jian Tang

* ICML 2021, Long talk 

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An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming


Jun 02, 2021
Minkai Xu, Wujie Wang, Shitong Luo, Chence Shi, Yoshua Bengio, Rafael Gomez-Bombarelli, Jian Tang

* Accepted by ICML 2021 

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MARS: Markov Molecular Sampling for Multi-objective Drug Discovery


Mar 18, 2021
Yutong Xie, Chence Shi, Hao Zhou, Yuwei Yang, Weinan Zhang, Yong Yu, Lei Li

* ICLR 2021 

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Non-autoregressive electron flow generation for reaction prediction


Dec 16, 2020
Hangrui Bi, Hengyi Wang, Chence Shi, Jian Tang


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A Graph to Graphs Framework for Retrosynthesis Prediction


Mar 28, 2020
Chence Shi, Minkai Xu, Hongyu Guo, Ming Zhang, Jian Tang


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GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation


Feb 27, 2020
Chence Shi, Minkai Xu, Zhaocheng Zhu, Weinan Zhang, Ming Zhang, Jian Tang

* Published at ICLR 2020 

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AutoInt: Automatic Feature Interaction Learning via Self-Attentive Neural Networks


Oct 29, 2018
Weiping Song, Chence Shi, Zhiping Xiao, Zhijian Duan, Yewen Xu, Ming Zhang, Jian Tang

* 9 pages, 7 figures 

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