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E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking


Oct 12, 2022
Yangtian Zhang, Huiyu Cai, Chence Shi, Bozitao Zhong, Jian Tang

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* Under review 

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Neural Structured Prediction for Inductive Node Classification


Apr 15, 2022
Meng Qu, Huiyu Cai, Jian Tang

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* iclr 2022 

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Structured Multi-task Learning for Molecular Property Prediction


Feb 22, 2022
Shengchao Liu, Meng Qu, Zuobai Zhang, Huiyu Cai, Jian Tang

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TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery


Feb 16, 2022
Zhaocheng Zhu, Chence Shi, Zuobai Zhang, Shengchao Liu, Minghao Xu, Xinyu Yuan, Yangtian Zhang, Junkun Chen, Huiyu Cai, Jiarui Lu, Chang Ma, Runcheng Liu, Louis-Pascal Xhonneux, Meng Qu, Jian Tang

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