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TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials.

Xiang GaoFarhad RamezanghorbaniOlexandr IsayevJustin S. SmithAdrian E. Roitberg
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • deep learning
  • open source
  • neural network
  • unsupervised learning
  • pattern recognition
  • higher order
  • unsupervised feature learning
  • text classification
  • model selection
  • back propagation