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cs.LG2021
Molecular Attributes Transfer from Non-Parallel Data
Shuangjia Zheng, Ying Song, Zhang Pan +3
Optimizing chemical molecules for desired properties lies at the core of drug development. Despite initial successes made by deep generative models and reinforcement learning metho…
cs.LG2021★ 10 cited
Learning Attributed Graph Representations with Communicative Message Passing Transformer
Jianwen Chen, Shuangjia Zheng, Ying Song +2
Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules…