Metadata-Version: 2.4
Name: madas
Version: 1.2.3
Summary: The MAterials DAta Similarity framework.
Author: Martin Kuban et al.
Maintainer-email: Martin Kuban <kuban@physik.hu-berlin.de>
License-Expression: Apache-2.0
Project-URL: Documentation, https://madas.readthedocs.io
Project-URL: Source, https://github.com/kubanmar/madas
Project-URL: Issues, https://github.com/kubanmar/madas/issues
Classifier: Programming Language :: Python :: 3.10
Classifier: Operating System :: POSIX :: Linux
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy>=1.26
Requires-Dist: pandas<3,>=2.2
Requires-Dist: ase>=3.22
Requires-Dist: matplotlib>=3.6
Requires-Dist: tqdm>=4.64
Requires-Dist: scikit-learn>=1.1
Requires-Dist: requests>=2.26
Requires-Dist: bitarray>=2.4.1
Requires-Dist: python-decouple>=3.8
Provides-Extra: tests
Requires-Dist: pytest>=8.4.1; extra == "tests"
Dynamic: license-file

# MADAS - the **MA**terials **DA**ta **S**imilarity 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](https://madas.readthedocs.io)

## Install

*MADAS* can be installed via pip:

```bash
pip install madas
```

For installation from source, please execute:

```bash
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
