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MStoML

This project is about dimensionality reduction and community classification from flow injection mass spectrometry.

Install

First clone the repository into your desired workspace.

To install the project's dependencies, use either poetry or conda/mamba:

cd MStoML
conda env create -f environment.yml

or

cd MStoML
poetry install

The conda environment may be more specific with regards to dependencies and versioning, but poetry is more flexible, especially when using different machine setups.

Usage

For more insight into the implemented methods, please refer to https://josuacarl.github.io/MStoML/.

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Mass-spectrometry to Machine Learning pipeline

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