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Shufang Xie
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De Novo Molecular Generation via Connection-aware Motif Mining


Feb 02, 2023
Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu, Tao Qin, Jie Wang, Yongdong Zhang, Feng Wu, Tie-Yan Liu

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Retrosynthetic Planning with Dual Value Networks


Jan 31, 2023
Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu

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Incorporating Pre-training Paradigm for Antibody Sequence-Structure Co-design


Nov 17, 2022
Kaiyuan Gao, Lijun Wu, Jinhua Zhu, Tianbo Peng, Yingce Xia, Liang He, Shufang Xie, Tao Qin, Haiguang Liu, Kun He, Tie-Yan Liu

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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

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* KDD-2022 
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Building Multilingual Machine Translation Systems That Serve Arbitrary X-Y Translations


Jun 30, 2022
Akiko Eriguchi, Shufang Xie, Tao Qin, Hany Hassan Awadalla

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* NAACL 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

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* 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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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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UniDrop: A Simple yet Effective Technique to Improve Transformer without Extra Cost


Apr 11, 2021
Zhen Wu, Lijun Wu, Qi Meng, Yingce Xia, Shufang Xie, Tao Qin, Xinyu Dai, Tie-Yan Liu

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* Accepted by NAACL 2021 
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