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    11 repositories

    • I-ReaxFF

      Public
      I-ReaxFF: stand for Intelligent-Reactive Force Field
      Python
      •
      GNU Lesser General Public License v3.0
      •10•0•0•0•Updated Sep 17, 2021Sep 17, 2021

    • LLC_Membranes

      Public
      Set up, simulate and analyze the results of molecular dynamics simulations of lyotropic liquid crystal membranes
      TeX
      •
      MIT License
      •4•0•0•0•Updated Sep 1, 2020Sep 1, 2020

    • faunus

      Public
      A Framework for Metropolis Monte Carlo Simulation of Molecular Systems http://mlund.github.io/faunus
      C++
      •
      MIT License
      •34•0•0•0•Updated Feb 22, 2020Feb 22, 2020

    • mosdef_tutorials

      Public
      A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
      Jupyter Notebook
      •18•0•0•0•Updated Jan 30, 2020Jan 30, 2020

    • willard-chandler

      Public
      Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in slab geometry
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •7•0•0•0•Updated Nov 5, 2019Nov 5, 2019

    • MDAnalysisCookbook

      Public
      Examples and tutorials of using MDAnalysis
      GNU General Public License v2.0
      •23•0•0•0•Updated Jun 7, 2019Jun 7, 2019

    • GRO2LAM

      Public
      Gromacs to Lammps simulation converter
      Python
      •
      MIT License
      •19•0•0•0•Updated May 9, 2019May 9, 2019

    • umbrella_integration

      Public
      Python implementation of the umbrella integration method for potential of mean force (PMF) calculations
      Python
      •
      GNU General Public License v3.0
      •6•0•0•0•Updated Feb 4, 2019Feb 4, 2019

    • AMBER-Umbrella_COM_restraint_tutorial

      Public
      Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane
      Python
      •25•0•0•0•Updated Jun 24, 2018Jun 24, 2018

    • atomify

      Public
      Atomify - a live LAMMPS visualizer
      C++
      •
      GNU General Public License v3.0
      •22•0•0•0•Updated Aug 2, 2017Aug 2, 2017

    • CG-it

      Public
      VMD plugin to simplify setting up coarse-grained simulations
      Rich Text Format
      •
      Other
      •5•0•0•0•Updated Jun 14, 2017Jun 14, 2017