Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials
, Authors:
Xiang Gao, Farhad Ramezanghorbani, Olexandr Isayev, Justin Smith, Adrian Roitberg
Version 1 posted 04 May 2020
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