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PMC - Predictive compression of molecular dynamics

Compression method for molecular dynamics trajectories exploiting the knowledge of molecular bonds.


If you use our method in your research, please cite the original article:

  author    = {
    Jan Dvo\v{r}\'{a}k and Martin Ma\v{n}\'{a}k and Libor V\'{a}\v{s}a
  journal   = {Journal of Molecular Graphics and Modelling},
  title     = {Predictive compression of molecular dynamics trajectories},
  year      = {2020},
  issn      = {1093-3263},
  month     = may,
  pages     = {107531},
  volume    = {96},
  doi       = {10.1016/j.jmgm.2020.107531},
  publisher = {Elsevier {BV}},


If you have any question regarding the PMC, feel free to contact the authors at, or by using issue tracking mechanism of the github repository.