# 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.
