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Geometric Deep Learning for Molecular Crystal Structure Prediction.

Michael KilgourJutta RogalMark Tuckerman
Published in: CoRR (2023)
Keyphrases
  • deep learning
  • machine learning
  • unsupervised feature learning
  • data mining
  • three dimensional
  • pairwise
  • unsupervised learning
  • information retrieval
  • multiscale
  • high dimensional
  • decision support system