vibe-sketch

Draw a structure or a reaction, and get the figure and the calculation input from the same sketch. In the browser, in a desktop window, or through an API that agents can drive.

vibe-sketch is a 2D chemical structure and reaction sketcher. It renders SVG and PNG publication graphics, exchanges structure files, turns a sketch into a 3D structure and a ready-to-run input for vibe-qc and ORCA, and exposes everything through a Python SDK, a CLI, a REST API and an MCP server. It is a companion to vibe-qc, vibe-view and vibe-queue, and runs without them.

Tip

This site documents vibe-sketch 0.1.0, (unnamed).

Tip

Current implementation: testing version. Draw or import structures, reactions and mechanisms; generate 3D geometries; write ORCA and vibe-qc calculation inputs; and submit and track jobs through an installed vibe-queue. The browser app also runs in the Electron desktop shell. These features are implemented now. Start with the quickstart or follow the guides below.

Save documents as QVF with the optional qvf-writer integration, or as .vsk without it. Naming, queue execution and the vibe-view hand-off need their corresponding optional integrations. The source desktop launcher is available; public release packages and the remaining desktop work are tracked separately in installation and the roadmap.

Sketch, submit, calculate, analyze

Step	Available now	Guide
Sketch and prepare	Draw structures and reactions, generate 3D geometries, and write supported ORCA, vibe-qc or QCSchema inputs.	3D structures, input writers
Submit	Submit prepared inputs to an installed, configured vibe-queue and follow or cancel recorded runs.	Inputs and calculations
Calculate	The selected quantum-chemistry program executes the job; input generation itself does not run a calculation.	Integration setup
Analyze	Send a prepared structure to vibe-view or open the calculation’s supported result files there.	vibe-view hand-off, viewer workflows

For a direct local calculation, run the generated input without the queue. The same preparation and submission operations are available through the CLI, Python SDK, REST API and MCP tools.

Documentation

Getting started

• Installation
  • What you need
  • Install a release wheel
  • Install from a checkout
  • Update a checkout
  • Optional extras
  • The browser app and the desktop shell
  • Browser acceptance tests
  • Checking installed integrations
  • Naming
• Quickstart
  • Draw, import, save, export
  • Generate 3D and write calculation inputs
  • Submit, calculate and analyze
  • Run the desktop app
  • The same from the command line
  • Names
• The browser app
  • Documents
  • Drawing
  • What the server reads from the drawing
  • Cleanup scope and vibe-view
  • 3D structures
  • In 3D, in vibe-view
  • Inputs
  • Names
  • Working with an agent
• Working with agents
  • One document, two editors
  • Tools

Reference

• The document format
  • In a QVF file
  • Two layers
  • A minimal document
  • Fields
  • What validation checks
  • Reading and writing
  • Versioning
• File formats
• Input writers
  • The writers
  • vibe-qc
  • ORCA
  • Writing an input
  • Adding a writer
• Command line
• REST API
  • Documents
  • Without storing anything
• Python API
  • vibesketch.document
  • vibesketch.chem
  • vibesketch.naming
  • vibesketch.render
  • vibesketch.inputs
  • vibesketch.server
  • vibesketch.agent
  • vibesketch.codenames
  • vibesketch.elements
  • vibesketch.units

The project

• Roadmap
• vibe-sketch and vibe-view: responsibilities
• Canvas spike: Ketcher behind the adapter
• Release codenames
• Licences
• Release process
• Changelog

Where things live

Project	What it is	Documentation
vibe-sketch	This sketcher	you are here
vibe-qc	The quantum-chemistry program; the naming engine the sketcher reuses	vibe-qc.com/docs/
vibe-view	The 3D viewer the sketcher hands structures to	vibe-qc.com/vibe-view/docs/
vibe-queue (vq)	Job scheduler; the [queue] extra talks to it	vibe-qc.com/vibe-queue/docs/
qvf	The result archive format the sketcher exports	its repository