Hyper-parameter optimization of multiple machine learning algorithms for molecular property prediction using hyperopt library
Jun Zhang, Qin Wang, Weifeng Shen
Topics & Concepts
Machine learningArtificial intelligenceRandom forestComputer sciencePython (programming language)AlgorithmNaive Bayes classifierSupport vector machineDecision treeArtificial neural networkHyperparameter optimizationData miningOperating systemComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics