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20162023
most citedANI-1: An extensible neural network potential with DFT accuracy at force field computational cost

2.1k citations

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physics.chem-ph2016★ 2.1k cited

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

Justin S. Smith, Olexandr Isayev, Adrian E. Roitberg

Deep learning is revolutionizing many areas of science and technology, especially image, text and speech recognition. In this paper, we demonstrate how a deep neural network (NN) t…