MicrobeRX 0.1.4

MicrobeRX is A tool for enzymatic reaction-based metabolite prediction in the gut microbiome.

Description

**MicrobeRX is A tool for enzymatic reaction-based metabolite prediction in the gut microbiome.**

Requirements

MicrobeRX is reliant on a variety of academic software. The Jupyter Dock.yaml file contains all the tools and dependencies, but the following are some of the most noticeable:

- rdkit
- datamol
- pyopenms
- pubchempy
- pandas
- plotly
- mols2grid
- rxnMapper
- ReactionDecoder

Installation

```
pip install MicrobeRX
```

License

This tool is under GPL-3.0 license, see the LICENSE file for details.

Disclaimer

This software is still under development and may contain bugs or errors. The developers do not guarantee the accuracy, completeness, or reliability of the software or its results. Use it at your own risk and discretion. The software is provided "as is" without any warranty of any kind, either express or implied, including but not limited to the warranties of merchantability, fitness for a particular purpose, and non-infringement. The developers are not liable for any damages, losses, or costs arising from the use of the software or its results.

Citation

If you use this software or its results in your research, publication, or project, please cite it as follows:

MicrobeRX: A tool for enzymatic reaction-based metabolite prediction in the gut microbiome DOI: 10.5281/zenodo.8207746

Contact

Please report bugs and feature requests through the Issue Tracker at

 https://github.com/GRONINGEN-MICROBIOME-CENTRE/MicrobeRX/issues

Help is also available through the mailing list

 https://github.com/GRONINGEN-MICROBIOME-CENTRE/MicrobeRX/discussions