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TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials.
Xiang Gao
Farhad Ramezanghorbani
Olexandr Isayev
Justin S. Smith
Adrian E. Roitberg
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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deep learning
open source
neural network
unsupervised learning
pattern recognition
higher order
unsupervised feature learning
text classification
model selection
back propagation