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  1. GAMBES GAMBES Public

    Gaussian-Mixture-Based Enhanced Sampling

    Jupyter Notebook 3 1

  2. PLUMED2_TICA PLUMED2_TICA Public

    Forked from helloyesterday/PLUMED2_TICA

    The time-lagged independent component analysis (TICA) method in PLUMED2

    C++

  3. plumed2-ves plumed2-ves Public

    Forked from ves-code/plumed2-ves

    Development version of PLUMED 2 which includes the VES code for performing variationally enhanced sampling simulations

    C++

  4. plumed2_its_full plumed2_its_full Public

    Forked from helloyesterday/plumed2_its_full

    The full version of PLUMED2 with the function of ITS

    C++

  5. TS-TARGET TS-TARGET Public

    A target distribution designed for Variational Approach to Enhanced Sampling

    C++

  6. data-driven-CVs data-driven-CVs Public

    Forked from luigibonati/data-driven-CVs

    Supporting material for the paper "Data driven collective variables for enhanced sampling"

    Jupyter Notebook