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