MADAS is a Python framework for calculating fingerprints and similarities from materials science data.
The documentation can be found here:
MADAS documentation at readthedocs
MADAS can be installed via pip:
pip install madasFor installation from source, please execute:
git clone --recurse-submodules https://github.com/kubanmar/madas.git
cd madas
pip install .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
preprint, arXiv:2403.10470 (2024)