PMC - Predictive compression of molecular dynamics

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

Bibtex

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

@Article{predictive-compression-molecular-dynamics,
  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}},
}

Contact

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