Metadata-Version: 2.4
Name: wnetalign
Version: 0.9.6
Summary: Python implementation of spectral alignment using Wasserstein metric
Author-email: Michał Startek <michal.startek@mimuw.edu.pl>
Maintainer-email: Michał Startek <michal.startek@mimuw.edu.pl>
License-Expression: MIT
Project-URL: Homepage, https://github.com/michalsta/wnetalign
Project-URL: Repository, https://github.com/michalsta/wnetalign.git
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Mathematics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Development Status :: 4 - Beta
Description-Content-Type: text/markdown
License-File: LICENCE
Requires-Dist: pylmcf
Requires-Dist: wnet
Requires-Dist: numpy
Provides-Extra: extras
Requires-Dist: pyopenms; extra == "extras"
Provides-Extra: pytest
Requires-Dist: pytest; extra == "pytest"
Requires-Dist: pandas; extra == "pytest"
Requires-Dist: numpy; extra == "pytest"
Dynamic: license-file

# WNetAlign

WNetAlign is a tool for MS (Mass Spectrometry) or NMR (Nuclear Magnetic Resonance) spectral alignment using Truncated Wasserstein Metric-based methods. It offers algorithms and utilities for comparing and mapping spectral features between datasets, leveraging advanced optimal transport techniques and spectral topology.

## Features

- Truncated Wasserstein metric-based spectral alignment
- Algorithms for spectral feature comparison and mapping
- Utilities for preprocessing and visualization

## Installation

```bash
pip install wnetalign
```

## Usage

Usage examples can be found in the `tutorials` directory, both for LCMS and NMR datasets.

## License

This project is licensed under the MIT License.
