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Integrating physics in deep learning algorithms: a force field as a PyTorch module.

Gabriele OrlandoLuis SerranoJoost SchymkowitzFrederic Rousseau
Published in: Bioinformatics (Oxford, England) (2024)
MadraX documentation, together with tutorials and installation guide, is available at madrax.readthedocs.io.
Keyphrases
  • deep learning
  • machine learning
  • electronic health record
  • artificial intelligence
  • single molecule
  • convolutional neural network
  • advance care planning