An adaptive graph learning method for automated molecular interactions and properties predictions
Yuquan Li, Chang‐Yu Hsieh, Ruiqiang Lu, Xiaoqing Gong, Xiaorui Wang, Pengyong Li, Shuo Liu, Yanan Tian, Dejun Jiang, Jiaxian Yan, Qifeng Bai, Huanxiang Liu, Shengyu Zhang, Xiaojun Yao
Topics & Concepts
Computer scienceInterpretabilityMachine learningHyperparameterRobustness (evolution)AdaptabilityArtificial intelligenceGraphData miningTheoretical computer scienceChemistryBiochemistryEcologyBiologyGeneComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics