Predicting Molecular Conformation via Dynamic Graph Score Matching
Shitong Luo, Chence Shi, Minkai Xu, Jian Tang
2021Neural Information Processing Systems18 citations
Topics & Concepts
Computer scienceMatching (statistics)GraphArtificial intelligencePattern recognition (psychology)MathematicsTheoretical computer scienceStatisticsComputational Drug Discovery MethodsChemical Synthesis and AnalysisProtein Structure and Dynamics