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
Topics & Concepts
Generative grammarGenerative modelDrug discoveryComputer scienceComputational biologyChemical spaceArtificial intelligenceChemistryNanotechnologyBiologyMaterials scienceBiochemistryComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics