Python implementation of spectral alignment using Wasserstein metric
Project description
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
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.
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