"TorchANI: A Free and Open Source PyTorch-Based Deep Learning ..."

Xiang Gao et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00451

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type: Journal Article

metadata version: 2022-10-02

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Xiang Gao, Farhad Ramezanghorbani, Olexandr Isayev, Justin S. Smith, Adrian E. Roitberg:
TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials. J. Chem. Inf. Model. 60(7): 3408-3415 (2020)

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