The MAI code can be found on GitHub and can be downloaded from the webpage or cloned via git clone


  1. Python 3.6 or newer
  2. Pymatgen 2018.11.30 or newer
  3. ASE 3.16.0 or newer
  4. OpenMetalDetector (recommended)

Installation Instructions

  1. If you don’t already have Python installed on your machine, you’ll need to install Python 3.6 or newer. I recommend using the Anaconda distribution of Python 3 if you don’t already have it installed.
  2. You will then need to install MAI and all of the required dependencies. The easiest way to do this is to find the requirements.txt file in the MAI base directory and use the command pip install -r requirements.txt; pip install ..