MADAS - the MAterials DAta Similarity framework
MADAS is a Python framework for calculating fingerprints and similarities from materials science data.
Documentation
The documentation can be found here:
MADAS documentation at readthedocs
Install
MADAS can be installed via pip:
pip install madas
For installation from source, please execute:
git clone --recurse-submodules https://github.com/kubanmar/madas.git
cd madas
pip install .
How to cite
If you use MADAS, please cite our paper:
Martin Kuban, Santiago Rigamonti, and Claudia Draxl:
MADAS: a Python framework for assessing similarity in materials-science data
Digital Discovery 3, (2024), 2448-2457
1 maintainer
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