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@moldyn

Biomolecular Dynamics

Group of Prof. Dr. G. Stock, University of Freiburg
  • Clustering

    Robust and stable clustering of molecular dynamics simulation trajectories.

    C++ BSD-2-Clause 0 0 0 0 Updated Sep 30, 2019
  • ramacolor

    The ramacolor script produce plots as proposed in Sittel et al., J. Chem. Theory Comput 12, 2426 (2016)

    Python BSD-2-Clause 0 0 0 0 Updated Mar 27, 2019
  • FastPCA

    Forked from lettis/FastPCA

    Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.

    C 2 0 0 0 Updated Jan 15, 2019
  • Data-Driven-Langevin

    Program to run the data driven Langevin equation as described in Schaudinnus et al., Phys. Rev. Lett. 115, 050602 (2015) or Rzepiela et al. J. Chem. Phys. 141, 241102 (2014). The basic publication is Hegger and Stock, J. Chem. Phys. 130, 034106 (2009) .

    C GPL-3.0 0 0 0 0 Updated Jan 8, 2019
  • dcTMD

    Forked from floWneffetS/dcTMD

    dissipation corrected targeted molecular dynamics

    Python GPL-3.0 1 0 0 0 Updated Nov 21, 2018
  • xgbAnalysis

    Forked from sbbrandt/xgbAnalysis

    Machine-Learning analysis of large data sets from molecular dynamics simulation

    HTML BSD-2-Clause 2 0 0 0 Updated Mar 22, 2018

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