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  1. GFN2NMR GFN2NMR Public

    A Very Deep Graph Convolutional Network for 13C NMR Chemical Shift Calculation with Density Functional Theory Level Performance for Structure Assignment

    Python 4

  2. 13C-NMR-calculation-codes 13C-NMR-calculation-codes Public

    The Python codes to deal with the data processing of GIAO 13C NMR calculation

    Python