Search Results for author: Yihuan Yu

Found 2 papers, 1 papers with code

An effective self-supervised framework for learning expressive molecular global representations to drug discovery

1 code implementation Briefings in Bioinformatics 2021 Pengyong Li, Jun Wang, Yixuan Qiao, Hao Chen, Yihuan Yu, Xiaojun Yao, Peng Gao, Guotong Xie, Sen Song

In MPG, we proposed a powerful GNN for modelling molecular graph named MolGNet, and designed an effective self-supervised strategy for pre-training the model at both the node and graph-level.

Drug Discovery Graph Neural Network

Learn molecular representations from large-scale unlabeled molecules for drug discovery

no code implementations21 Dec 2020 Pengyong Li, Jun Wang, Yixuan Qiao, Hao Chen, Yihuan Yu, Xiaojun Yao, Peng Gao, Guotong Xie, Sen Song

Here, we proposed a novel Molecular Pre-training Graph-based deep learning framework, named MPG, that leans molecular representations from large-scale unlabeled molecules.

Drug Discovery Graph Neural Network

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