GTN: Molecular networking with matchms & cytoscape

RECETOX / training-material

A collection of Galaxy-related training material

https://training.galaxyproject.org

MIT License

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GTN: Molecular networking with matchms & cytoscape #3

Open hechth opened 2 years ago

hechth commented 2 years ago

This galaxy training should describe how - after obtaining (annotated) spectra in msp format - we can use matchms for molecular networking and similarity computation as well as filtering of our msp libraries.

[ ] Get started with GitPod and GTN training
[ ] Assemble preliminary workflow
[ ] Section on molecular networking
[ ] Section on spectral matching & MSP data
[ ] Section on networking tool -> future
[ ] Section on cytoscape in Galaxy

maximskorik commented 1 year ago

@hechth, any suggestions on the toy dataset to use in the training? Some public datasets from GNPS could be a good fit.

hechth commented 1 year ago

@maximskorik Some clustered spectra from GNPS which are used for networking? Yes, sure.

Maybe even one used in some of the publications for FMN or IIMN?