vibe-queue: provenance-aware job execution for computational chemistry across workstations and clusters

About the paper

vibe-scheduler submits, tracks and retrieves computational chemistry jobs on your workstation, on remote machines over SSH and on Torque/PBS or Slurm clusters, all from one place. The preprint describes version 1.0.0. Resource estimates, host-selection policies and a fleet dashboard help you see which machine runs which job. It works with any command-line program, including vibe-qc.

The preprint uses the tool’s former name, vibe-queue.

@misc{vibe-scheduler-2026,
  title = {{vibe-queue: provenance-aware job execution for computational chemistry across workstations and clusters}},
  author = {Peintinger, Michael F.},
  year = {2026},
  doi = {10.26434/chemrxiv.15011091/v1},
  url = {https://doi.org/10.26434/chemrxiv.15011091/v1},
  howpublished = {ChemRxiv},
  note = {Preprint, version 1}
}