this is the repo for course project of ME228
Crystal Graph Convolution Neural Network for material property prediction
atom_feature_vectoring.ipynb has code for getting frequency distributions of element properties from the atom_init.json file.
properties_from_mtrls_api.ipynb has the code for accessing the Materials Project api and querying for the required properties and their freq. distribution.
mpids_full.csv has all the 46744 material ids, mp-ids-3402.csv has 3200 material ids (sample set).
material_ids_with_prop.xlxx has the sample material ids and their corresponding properties from the Materials Project api.