In this tutorial we will use the ElemNet neural network architecture (https://github.com/NU-CUCIS/ElemNet) to predict the volume per atom of inorganic compounds, where the open quantum materials database (OQMD) is used as a resource (specifically, the data is taken from Ward et. al., npj Comput. Mater. 2, 16028 (2016)).

Andreas Leitherer
authored
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nn_regression | ||
README.md | ||
metainfo.json | ||
nn_regression.ipynb | ||
requirements.txt | ||
setup.py |