Molecules-in-Molecules (MIM)

Documentation

Molecular Fragmentation Code

Installation

1. Download

   git clone https://github.com/nbraunsc/MIM.git
   cd MIM/
   

2. Create a conda environment and install required modules

   conda create -n mim_env pip python=3.7
   conda activate mim_env
   cd docs/
   pip install -r requirements.txt
   

3. Install MIM package

   cd ../
   pip install -e .
   

Copyright

Copyright (c) 2021, Nicole Braunscheidel

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.5.