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Quality Threshold Clustering of Molecular Dynamics: A Word of Caution.

Roy González-AlemánDavid Hernández-CastilloJulio CaballeroLuis Alberto Montero-Cabrera
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • molecular dynamics
  • clustering algorithm
  • spectral clustering
  • data mining
  • molecular dynamics simulations
  • database
  • digital libraries
  • management system
  • co occurrence
  • scientific data
  • high performance computing