stilt.Project.submit#

Project.submit(skip_existing=True, compute_root=None, execution=None, *, receptors=None)[source]#

Submit every simulation that has not finished to Slurm, and return at once.

Shorthand for stilt.execution.submit(), which documents the parameters. Returns the Slurm job id, or None when nothing needs to run.

Return type:

str | None

Parameters:

  • skip_existing (bool)

  • compute_root (str | Path | None)

  • execution (ExecutionConfig | None)

  • receptors (Iterable[str] | None)