Metadata-Version: 2.1
Name: elastory
Version: 0.1.0
Summary: Tools for studying long ranged —allosteric— effects in elastic networks (e.g. of proteins) on a mechanical basis.
Home-page: https://github.com/maxvossel/elastory
License: MIT
Keywords: physics,biophysics,allostery,elastic networks,proteins,computational biology
Author: Maximilian Alexander Vossel
Author-email: mvossel@pm.me
Requires-Python: >=3.11,<4.0
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
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Project-URL: Repository, https://github.com/maxvossel/elastory
Description-Content-Type: text/markdown

<p align="center">
  <a href="https://arxiv.org/pdf/2311.12025">
    <img src="./net.png" alt="network" width="400">
  </a>
</p>

<h1 align="center">elastory</h1>

<p align="center">
  Tools for studying long ranged <i><b>—allosteric—</b></i> effects in elastic networks (e.g. of proteins) on a mechanical basis.
  <br>
  <a href="https://arxiv.org/pdf/2311.12025"><strong>Read our paper »</strong></a>
  <br>
  <br>
  <a href="./notebooks/examples">Look at our Examples</a>
  ·
  <a href="./notebooks/results">Reproduce our results</a>

</p>

## Installation

Will be available as package on PyPI soon.

```bash
pip install elastory
```

## Usage

You might wan't to have a look at the [examples](./notebooks/examples).

## Publication

Please have a look at our [paper 📜](https://arxiv.org/pdf/2311.12025) and cite us [<img alt="orcid" width="20px" src="https://orcid.org/assets/vectors/orcid.logo.icon.svg">](https://orcid.org/0009-0007-0723-8109) when using my code.

```bibtex
@misc{vossel2023allosteric,
    title={The allosteric lever: towards a principle of specific allosteric response},
    author={Maximilian Vossel and Bert L. de Groot and Aljaž Godec},
    year={2023},
    eprint={2311.12025},
    archivePrefix={arXiv},
    primaryClass={physics.bio-ph}
}
```

## Contributing

Pull requests are more than welcome. For major changes, please open an [issue](https://github.com/maxvossel/elastory/issues) first to discuss what you would like to change or add.

## Project status

Work on this project has slowed down since I left academia for an [AI startup](https://lector.ai). I still like this project however and would be happy to help anyone using the code. I can not promise anything but will do my best to provide support. :)

