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PocketFlow is a Data-and-knowledge-driven Structure-Based Molecular Generative Model

Yuanyuan Jiang,Guo Zhang,Jing You,Hailin Zhang,Rui Yao,Huanzhang Xie, Liyun Zhang,Ziyi Xia, Mengzhe Dai,Yunjie Wu,Linli Li,Shengyong Yang

NATURE MACHINE INTELLIGENCE（2024）

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Key words
Molecular Docking,Computational Chemistry,Materials Discovery
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