vibe-sketch connects chemical structure drawing, publication graphics and calculation preparation in one editable document. The paper follows one example, butadiene and ethene forming cyclohexene, from the sketch through twelve vibe-qc calculations to the orbitals in vibe-view. vibe-sketch is open source (MPL-2.0) and available for macOS and Linux.
The electronic-structure engine behind the ecosystem, developed by agentic engineering under expert scientific direction. The paper describes its molecular and periodic capabilities and validation against independent reference programs.
A shared archive and a set of interfaces for exploring quantum chemistry results. The paper introduces qvf’s checksummed data container and vibe-view’s interactive and scripted visualization workflows.