├── .gitignore ├── LICENSE ├── Procfile ├── README.md ├── UPDATED ├── app.py ├── conda-requirements.txt ├── data ├── binary_oxides_entries_dict.json ├── garnet │ ├── garnet_calc_entries.json │ ├── garnet_calc_entries_dict.json │ ├── garnet_ehull_entries.json │ ├── garnet_ehull_entries_dict.json │ ├── proto_mp-3050.cif │ └── stable_binary_oxides_garnet.csv ├── garnet_oxi_table.json ├── perovskite │ ├── perov_calc_entries.json │ ├── perov_calc_entries_dict.json │ ├── perov_ehull_entries.json │ ├── perov_ehull_entries_dict.json │ ├── proto_mp-4019.cif │ └── stable_binary_oxides_perov.csv └── perovskite_oxi_table.json ├── garnetdnn ├── __init__.py ├── ehull.py ├── formation_energy.py └── util.py ├── models ├── garnet │ ├── model_a.h5 │ ├── model_average.h5 │ ├── model_c.h5 │ ├── model_d.h5 │ ├── model_unmix.h5 │ ├── scaler_a.pkl │ ├── scaler_average.pkl │ ├── scaler_c.pkl │ ├── scaler_d.pkl │ └── scaler_unmix.pkl └── perovskite │ ├── model_a.h5 │ ├── model_b.h5 │ ├── model_unmix.h5 │ ├── scaler_a.pkl │ ├── scaler_b.pkl │ └── scaler_unmix.pkl ├── notebooks └── Example.ipynb ├── requirements.txt ├── runtime.txt ├── static ├── images │ ├── dnn.jpg │ └── perovnn.graffle │ │ ├── data.plist │ │ ├── image1.pdf │ │ └── image2.pdf ├── index.css ├── js │ ├── bower.json │ ├── package.json │ └── renderjson.js ├── style.css └── summary.css └── templates ├── index.html ├── index_perov.html └── layout.html /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/materialyzeai/garnetdnn/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/materialyzeai/garnetdnn/HEAD/LICENSE -------------------------------------------------------------------------------- /Procfile: -------------------------------------------------------------------------------- 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