Metadata-Version: 2.1
Name: madas
Version: 1.0.4
Summary: The MAterials DAta Similarity framework.
Author: Martin Kuban et al.
Maintainer-email: Martin Kuban <kuban@physik.hu-berlin.de>
License: Copyright 2024 The MADAS developers
        
        Licensed under the Apache License, Version 2.0 (the "License");
        you may not use this file except in compliance with the License.
        You may obtain a copy of the License at
        
            http://www.apache.org/licenses/LICENSE-2.0
        
        Unless required by applicable law or agreed to in writing, software
        distributed under the License is distributed on an "AS IS" BASIS,
        WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
        See the License for the specific language governing permissions and
        limitations under the License.
        
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: License :: OSI Approved :: Apache Software License
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>=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

# 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  
preprint, arXiv:2403.10470 (2024)  
