Squonk Data Manager jobs

Jobs allow an algorithm to be executed against some inputs with specific parameters. The Squonk Data Manager makes it simple for a developer to define how the job operates, and for an end-user scientist to execute that job without needing to know the nitty gritty of what the developer did.

Jobs can be fairly simple (e.g. calculating molecular properties) or quite complex (e.g. virtual screening workflows that are run in parallel across the cluster). And the output of one job can be the input of the next job.

The administrator of this Squonk Data Manager installation decides which jobs are made available to its users. The definition of these jobs is done in Git repositories. The guide for doing this can be found here.

Where the jobs are listed

The jobs available on this Squonk Data Manager are listed in the Run section of any project you can reach, alongside the workflows and applications that are also deployed here. Each card states the job's category, its collection, its keywords and its versions, and links to its own published documentation.

See the Run guide for how to find a job and launch it, and the Concepts page for how jobs relate to workflows and applications.

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