Can machine learning find extraordinary materials
A repository with code to explore "extrapolation" to extraordinary materials properties using machine learning.
Install dependencies via anaconda:
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
Usage
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