Data from CHAMPS (02-2018)

Dataset

Description

The data in this deposit were used in the paper "Empirical Classification of Trajectory Data: An Opportunity for the Use of Machine Learning in Molecular Dynamics." Carpenter, B. K.; Ezra, G. S.; Farantos, S. C.; Kramer, Z. C.; Wiggins, S. J. Phys. Chem. B, 2017, 121, in press, doi: 10.1021/acs.jpcb.7b08707.
Date made available14 Feb 2018
PublisherUniversity of Bristol

Keywords

  • CHAMPS
  • Machine Learning
  • Trajectory

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