Metabolomics Workbench Hackathon Session

[raynamharris]

Metabolomics Workbench (MW) is an online resource that houses the NIH Common Fund's National Metabolomics Data Repository (NMDR) as well as related databases and resources. The MW provides a platform to deposit metabolomics data to NMDR by researchers across the world, and provides tools to browse, analyze and visualize such data and the related metabolite structures and annotations. Currently, the NMDR has over 2,000 MS and NMR studies covering over 130 different species. The MW metabolite database currently has more than 164,000 molecular structures with the ability to search by text, substructure and m/z values. Tutorials about various aspects of the MW data are provided here.

The Metabolomics Workbench Hackathon Session will provide an introduction to the data as well as structured and unstructured activities.

[barupal]

We had to merge mwTAB files from all MW studies for a project. The result is posted on Zenodo https://zenodo.org/record/5860638#.YgvdQDjMKpp .

[mano-at-sdsc]

Great to know. I will let Eoin Fahy at our DCC know.

[jessicalumian]

For reference, here is a link to the Metabolomics Workbench GitHub repository, which features a hosted Jupyter Notebook: https://github.com/metabolomicsworkbench/MetENP

[mano-at-sdsc]

Thanks, Jessica. The link to working jupyter notebook is: https://mybinder.org/v2/gh/metabolomicsworkbench/MetENP/test01?filepath=vignettes%2FMetENP_vignette_Jupyter_notebook.ipynb Mano

…

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