netsci_paper

Data and calculations used for the Netsci paper.

Installation

Make sure that Netsci is installed and tested: https://github.com/netscianalysis/netsci.git

Activate the Netsci Conda environment

conda activate netsci

The dependency(ies) needed for this repository must be installed manually:

pip install matplotlib
conda install -c conda-forge ambertools

Analyses

Instructions for how to run the analyses used in the paper can be found in the READMEs located in the various directories:

netsci_paper/
  toy_systems/
    README
  proteinG/
    README
  serca/
    README

Copyright

Copyright (c) 2024, Lane Votapka and Andy Stokely

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.1.