A collection of notebooks in support of the publication A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities Evaluated with Machine Learning.
To run these notebooks please accept the terms of using the dataset and download the csv from https://pcwww.liv.ac.uk/~msd30/lmds/LiIonDatabase.html.
Recommended usage is from a clean python virtual environment and installing required packages from the environment.yml file. For example, using conda:
git clone https://github.com/lrcfmd/LiIonML
cd LiIonMl
conda env create -f environment.yml
conda activate LiIonMl
CrabNet models are cloned from the original repository, https://github.com/anthony-wang/CrabNet, with minor modifications to allow early stopping.
Please feel free to post any problems or queries you encounter as issues on this GitHub page