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Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB)
  approach for learning molecular thermodynamics and kinetics

Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics

18 September 2024
Ziyue Zou
Dedi Wang
P. Tiwary
    AI4CE
ArXiv (abs)PDFHTML

Papers citing "Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics"

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