ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

J. S. Smith, O. Isayev and A. E. Roitberg,
Chem. Sci., 2017, 8, 3192

DOI: 10.1039/C6SC05720A

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