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Predicting the protein-ligand affinity from molecular dynamics trajectories


Aug 19, 2022
Yaosen Min, Ye Wei, Peizhuo Wang, Nian Wu, Stefan Bauer, Shuxin Zheng, Yu Shi, Yingheng Wang, Dan Zhao, Ji Wu, Jianyang Zeng

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* initial version 

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Going Deeper into Permutation-Sensitive Graph Neural Networks


May 28, 2022
Zhongyu Huang, Yingheng Wang, Chaozhuo Li, Huiguang He

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* Accepted by ICML 2022. Code is publicly available at https://github.com/zhongyu1998/PG-GNN 

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One-shot Transfer Learning for Population Mapping


Aug 17, 2021
Erzhuo Shao, Jie Feng, Yingheng Wang, Tong Xia, Yong Li

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* Published in Proceedings of the 30th ACM International Conference on Information and Knowledge Management (CIKM '21) 

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Multi-view Graph Contrastive Representation Learning for Drug-Drug Interaction Prediction


Oct 22, 2020
Yingheng Wang, Yaosen Min, Xin Chen, Ji Wu

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