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deLIBErate

deLIBErate is a repository of code to assist in the use and analysis of the Lithium-Ion Battery Electrolyte (LIBE) dataset.

The repository is primarily comprised of Jupyter Notebooks, with some utility functions included.

Requirements

The notebooks included here require the following libraries. We recommend that you use conda to install, with Python version >= 3.6.

  • Numpy
  • SciPy
  • Matplotlib
  • Seaborn
  • NetworkX
  • OpenBabel / pybel
  • monty
  • pymatgen

While not used directly in this repository, the following libraries are necessary to completely replicate the workflow used to generate LIBE:

Installation

In order to use the utility code provided in src, run python setup.py develop. After running this command, all Jupyter notebooks should run all code without error.

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deLIBErate is a repository of code to assist in the use and analysis of the Lithium-Ion Battery Electrolyte (LIBE) dataset.

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