10 citations · 12 across the 2 of their papers we have counts for
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cs.LG2021★ 2 cited
Molecular Contrastive Learning with Chemical Element Knowledge Graph
Yin Fang, Qiang Zhang, Haihong Yang +7
Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive…
cs.LG2021★ 10 cited
Knowledge-aware Contrastive Molecular Graph Learning
Yin Fang, Haihong Yang, Xiang Zhuang +3
Leveraging domain knowledge including fingerprints and functional groups in molecular representation learning is crucial for chemical property prediction and drug discovery. When m…