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Popular repositories Loading

  1. kl_divergence kl_divergence Public

    Implementing the local Kullback-Leibler divergence measure from McClendon et al. JCTC 2012 in Python

    Jupyter Notebook 2 4

  2. orgtraj orgtraj Public

    Simplify storing metadata with featurized trajectories.

    Python 2

  3. langevin_dynamics langevin_dynamics Public

    Langevin dynamics of a single particle in one and two dimensions in Python.

    Python 2

  4. conshelix conshelix Public

    Python implementation of helix CVs from Lee and Im, J. Comput. Chem. 2007

    Python 1

  5. alpha_helical_content alpha_helical_content Public

    Python implementation of the NAMD alpha-helical content colvar (http://www.ks.uiuc.edu/Research/namd/2.9/ug/node55.html)

    Python 1

  6. maxcal maxcal Public

    Python implementation of MaxCal MSM reweighting from Wan, Zhou, and Voelz, JCTC (2016).

    Python 1