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Learning Attributed Graph Representations with Communicative Message Passing Transformer

Jul 19, 2021
Jianwen Chen, Shuangjia Zheng, Ying Song, Jiahua Rao, Yuedong Yang

* Accepted by IJCAI2021. 7 pages, 2 figures, 3 tables, 1 appendix 

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Quantitative Evaluation of Explainable Graph Neural Networks for Molecular Property Prediction

Jul 12, 2021
Jiahua Rao, Shuangjia Zheng, Yuedong Yang

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BioNavi-NP: Biosynthesis Navigator for Natural Products

May 26, 2021
Shuangjia Zheng, Tao Zeng, Chengtao Li, Binghong Chen, Connor W. Coley, Yuedong Yang, Ruibo Wu

* 14 pages 

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Communicative Message Passing for Inductive Relation Reasoning

Dec 16, 2020
Sijie Mai, Shuangjia Zheng, Yuedong Yang, Haifeng Hu

* Accepted by AAAI-2021 

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RetroXpert: Decompose Retrosynthesis Prediction like a Chemist

Nov 04, 2020
Chaochao Yan, Qianggang Ding, Peilin Zhao, Shuangjia Zheng, Jinyu Yang, Yang Yu, Junzhou Huang

* 17 pages, to appear in NeurIPS 2020 

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Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

Jul 03, 2019
Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang

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