{
  "abstract": "vibe-sketch connects chemical structure drawing, publication graphics and calculation preparation in an editable document. The browser and desktop interfaces combine a structure library with species identities, reactionroles,conformersandsavedcalculationrecipes;thesameoperationsareaccessiblethrough Python, command-line, REST and Model Context Protocol interfaces. We describe release 0.6.0 and the expanded template library in0.6.1,and demonstratetheworkflow for butadiene plus ethene forming cyclohexene.Twelvevibe-qc0.17.26calculationsconnectMACEoptimization,dispersion-freePBE optimization and Hessian evaluation, and restricted-reference correlated single points. Checks between calculationstagespreservethetransferredgeometriesand recordsofrejectedattempts.Thereported electronicreactionenergy is−190.54kJmol 1withintheexplicitlyreviewed restrictedprotocol;the - reference-wavefunction instabilities and the specific triples correction used remain documented. All 105 softwarechecks match theirexpected outcomes,including refusalofunsupported requests.Chemical schemesareexportedwithvibe-sketch0.6.0andresultorbitalsrenderedwithvibe-view3.0.0.The examplesdemonstratetraceablepreparationandreportingratherthangeneralchemicalaccuracyor exhaustive conformational sampling.",
  "abstract_shown": true,
  "affiliations": [
    "Mulliken Center for Theoretical Chemistry",
    "University of Bonn"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 1,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Michael F. Peintinger",
      "orcid": "0000-0002-9425-5981"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/d934a0q8ws9te.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15011089/v1",
  "fulltext_url": null,
  "id": "d934a0q8ws9te",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011089/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7223972870",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15011089/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-27",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/d934a0q8ws9te.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:26Z",
      "native_id": "10.26434/chemrxiv.15011089",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011089/v1"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "openalex:3107|Advanced Chemical Physics Studies",
      "subfield": "amo"
    }
  ],
  "title": "vibe-sketch for Chemical Structure Drawing and Calculation Preparation",
  "title_text": "vibe-sketch for Chemical Structure Drawing and Calculation Preparation",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:26Z",
  "url": "https://research.draconitic.com/paper/d934a0q8ws9te",
  "venue": "ChemRxiv",
  "versions": []
}