Application of message passing neural networks for molecular property prediction
Miru Tang, Baiqing Li, Hongming Chen
Topics & Concepts
CheminformaticsComputer scienceProperty (philosophy)Artificial neural networkArtificial intelligenceMachine learningVariety (cybernetics)Message passingClass (philosophy)GraphTheoretical computer scienceBioinformaticsDistributed computingBiologyEpistemologyPhilosophyComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics