README.md

pH-sensitive coarse-grained model of mRNA lipid nanoparticles

This repository contains Python code, Jupyter Notebooks, and data for reproducing the results presented in the manuscript Lipid shape and packing are key for optimal design of pH-sensitive mRNA lipid nanoparticles.

Usage

To open the Notebooks, either click the launch binder badge above or install Miniconda and make sure all required packages are installed by issuing the following terminal commands

    conda env create -f environment.yml
    source activate faunus
    jupyter-notebook

Commands to install Faunus

    tar xvfj faunus.tar.bz2
    cd faunus
    conda activate faunus
    cmake . -DENABLE_MPI=OFF -DCMAKE_BUILD_TYPE=Release -DENABLE_OPENMP=OFF
    make faunus -j4

Contributors

Giulio Tesei (@gitesei)

Mikael Lund (@mlund)