AI-based Methods for Mass Spectrometry

Quickstart

Depending on your platform you may choose from these several options:

cd docker
docker compose up jupyter

Then open your browser and connect to the Jupyter service (watch the output of docker compose for the correct jupyter token).

Modify the script run_metacentrum.sh to your liking, ie. change the number of computation nodes or the size of memory, and execute:

qsub run_metacentrum.sh

After the submission of the job wait for an e-mail with an url where you can connect to the jupyter service.