Search Results for author: Xin Shao

Found 1 papers, 0 papers with code

Knowledge-aware Contrastive Molecular Graph Learning

no code implementations24 Mar 2021 Yin Fang, Haihong Yang, Xiang Zhuang, Xin Shao, Xiaohui Fan, Huajun Chen

Leveraging domain knowledge including fingerprints and functional groups in molecular representation learning is crucial for chemical property prediction and drug discovery.

Contrastive Learning Drug Discovery +5

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