BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules
Published in Chemical Science, 2020
Recommended citation: M Wen, SM Blau, EW Spotte-Smith, S Dwaraknath, KA Persson, "BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules." Chemical Science, 12, 1858-1868, (2020). https://doi.org/10.1039/D0SC05251E
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules.
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