stilt.Project.run

Project.run(skip_existing=True, compute_root=None, execution=None, *, receptors=None, task=None)

Run every simulation that has not finished, and wait for it.

Shorthand for stilt.execution.run(), which documents the parameters. Use submit() to submit to Slurm and return at once.

Return type:

DataFrame

Parameters:

• skip_existing (bool)

• compute_root (str | Path | None)

• execution (ExecutionConfig | None)

• receptors (Iterable[str] | None)

• task (tuple[int, int] | None)