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@Molecular-Simulation-Lab-UV

Molecular Simulations Lab - UV

NB2P

This repository is home to a wide range of Simulation related files.

From scripts for analysis to figure-generation scripts and everything in between, this repo has the files pertaining to the work produced and in production by the Molecular Simulation Laboratory at Universidad de Valparaíso.

The files are sorted by program to which they relate, and/or to the project that made them necessary. This, respectively, mainly has to do with whether we are talking about an analysis or a plotting script.

Popular repositories Loading

  1. NAMDAnalisisScripts NAMDAnalisisScripts Public

    Scripts used for analysis of various systems and the pertaining variables or reaction coordinates

    Python 1 4

  2. autexti autexti Public

    Automated Extended Thermodynamic Integration script for the GROMOS simulation package

    Julia 1

  3. graphene_adsorption graphene_adsorption Public

    Paper regarding adsorption of amino acids onto graphene-

    Portugol

  4. Molecular-Simulation-Lab-UV.github.io Molecular-Simulation-Lab-UV.github.io Public

    HTML 1

  5. .github .github Public

  6. wham.jl wham.jl Public

    Implementation of the Weighted Histogram Analysis Method (WHAM) in Julia

Repositories

Showing 6 of 6 repositories
  • NAMDAnalisisScripts Public

    Scripts used for analysis of various systems and the pertaining variables or reaction coordinates

    Molecular-Simulation-Lab-UV/NAMDAnalisisScripts’s past year of commit activity
    Python 1 GPL-3.0 4 0 0 Updated Nov 27, 2024
  • autexti Public

    Automated Extended Thermodynamic Integration script for the GROMOS simulation package

    Molecular-Simulation-Lab-UV/autexti’s past year of commit activity
    Julia 1 GPL-3.0 0 0 0 Updated Aug 14, 2024
  • graphene_adsorption Public

    Paper regarding adsorption of amino acids onto graphene-

    Molecular-Simulation-Lab-UV/graphene_adsorption’s past year of commit activity
    Portugol 0 0 0 0 Updated Mar 15, 2023
  • .github Public
    Molecular-Simulation-Lab-UV/.github’s past year of commit activity
    0 0 0 0 Updated Jun 23, 2022
  • wham.jl Public

    Implementation of the Weighted Histogram Analysis Method (WHAM) in Julia

    Molecular-Simulation-Lab-UV/wham.jl’s past year of commit activity
    0 GPL-3.0 0 0 0 Updated May 9, 2022
  • Molecular-Simulation-Lab-UV/Molecular-Simulation-Lab-UV.github.io’s past year of commit activity
    HTML 0 1 0 0 Updated Jan 4, 2022

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