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Direct integration of the external potential, diep

diep is a material representation library that implements the ``direct integration of the external potential'' embedding for graph neural networks, as described here:

Installation

diep requires the installation of the following library:

After installing the above library, you can install diep using the pip command as follows:

pip install diep

Features

diep is currently under active development.

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  • Python 99.8%
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