How to run prosit locally in high performance computing environment?

kusterlab / prosit

Prosit offers high quality MS2 predicted spectra for any organism and protease as well as iRT prediction. When using Prosit is helpful for your research, please cite "Gessulat, Schmidt et al. 2019" DOI 10.1038/s41592-019-0426-7

https://www.proteomicsdb.org/prosit/

Apache License 2.0

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How to run prosit locally in high performance computing environment? #83

Closed Hendricks27 closed 2 years ago

Hendricks27 commented 2 years ago

To whom it may concern,

Thank you all for writing this amazing software. And I am trying to run this locally. I don't have a GPU locally, but our HPC has. Is there a way to dockerize everything into a single container? Thanks.

Best, Wenjin

gessulat commented 2 years ago

Have a look if this helps: https://github.com/kusterlab/prosit/blob/master/Dockerfile