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MDSuite: comprehensive post-processing tool for particle simulations.

Samuel ToveyFabian ZillsFrancisco Torres-HerradorChristoph LohrmannMarco BrücknerChristian Holm
Published in: J. Cheminformatics (2023)
Keyphrases
  • post processing
  • preprocessing
  • feature extraction
  • human experts
  • filtering method
  • real world
  • data mining
  • knowledge base
  • pattern extraction