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Unified 2D and 3D Pre-Training of Molecular Representations


Jul 14, 2022
Jinhua Zhu, Yingce Xia, Lijun Wu, Shufang Xie, Tao Qin, Wengang Zhou, Houqiang Li, Tie-Yan Liu

* KDD-2022 

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RetroGraph: Retrosynthetic Planning with Graph Search


Jun 23, 2022
Shufang Xie, Rui Yan, Peng Han, Yingce Xia, Lijun Wu, Chenjuan Guo, Bin Yang, Tao Qin

* KDD2022 

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SMT-DTA: Improving Drug-Target Affinity Prediction with Semi-supervised Multi-task Training


Jun 22, 2022
Qizhi Pei, Lijun Wu, Jinhua Zhu, Yingce Xia, Shufang Xie, Tao Qin, Haiguang Liu, Tie-Yan Liu


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Direct Molecular Conformation Generation


Feb 03, 2022
Jinhua Zhu, Yingce Xia, Chang Liu, Lijun Wu, Shufang Xie, Tong Wang, Yusong Wang, Wengang Zhou, Tao Qin, Houqiang Li, Tie-Yan Liu


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DDG-DA: Data Distribution Generation for Predictable Concept Drift Adaptation


Jan 11, 2022
Wendi Li, Xiao Yang, Weiqing Liu, Yingce Xia, Jiang Bian

* Accepted by AAAI'22 

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SHGNN: Structure-Aware Heterogeneous Graph Neural Network


Dec 14, 2021
Wentao Xu, Yingce Xia, Weiqing Liu, Jiang Bian, Jian Yin, Tie-Yan Liu


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Pre-training Co-evolutionary Protein Representation via A Pairwise Masked Language Model


Oct 29, 2021
Liang He, Shizhuo Zhang, Lijun Wu, Huanhuan Xia, Fusong Ju, He Zhang, Siyuan Liu, Yingce Xia, Jianwei Zhu, Pan Deng, Bin Shao, Tao Qin, Tie-Yan Liu


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HIST: A Graph-based Framework for Stock Trend Forecasting via Mining Concept-Oriented Shared Information


Oct 26, 2021
Wentao Xu, Weiqing Liu, Lewen Wang, Yingce Xia, Jiang Bian, Jian Yin, Tie-Yan Liu


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Discovering Drug-Target Interaction Knowledge from Biomedical Literature


Sep 27, 2021
Yutai Hou, Yingce Xia, Lijun Wu, Shufang Xie, Yang Fan, Jinhua Zhu, Wanxiang Che, Tao Qin, Tie-Yan Liu


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Dual-view Molecule Pre-training


Jun 17, 2021
Jinhua Zhu, Yingce Xia, Tao Qin, Wengang Zhou, Houqiang Li, Tie-Yan Liu

* 15 pages 

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