A repository with code to explore "extrapolation" to extraordinary materials properties using machine learning.

Navigate to project directory. Open anaconda prompt (need to have installed the anaconda distribution of python).

Run the following from anaconda prompt to create environment: conda env create --file conda-env.yml

Run the following to activate environment: conda activate extrapolate

Recreate results by running main.py

Get additional figures by running: make_figs.py, get_pcd_property_prediction.py, and explore_act_vs_pred.py