vibe-sketcher
Formerly vibe-sketchTesting versionFrom a chemical idea to a calculation input.
Draw structures, reactions and mechanisms. Prepare 3D geometries, calculation inputs and publication graphics.
Release snapshot checked 2026-11-01.
SKETCHFor chemists preparing molecular structures, reaction schemes and inputs for electronic-structure calculations.
Developed by agentic engineering under scientific direction. Install independently and connect tools when your workflow needs them.
Make room for
your next question.
Structures and reactions
Draw or import molecular structures, reactions and mechanisms. Export scene-preserving SVG with ACS, RSC or Wiley JCC presets; the browser can rasterize schemes to PNG. Exchange structures through MOL, SDF, RXN, SMILES and InChI; The bundled publication renderer also exports PNG and PDF; CDXML export remains planned.
Calculation preparation
Generate 3D geometries and write vibe-qc, ORCA, QCSchema or XYZ inputs. Writers reject job settings they cannot represent. Submit supported jobs through a separately installed vibe-scheduler and open structures in vibe-viewer.
Automation interfaces
Use the Python SDK, command line, REST API or MCP server for supported drawing, conversion and calculation-preparation operations.
Optional connections
QVF is the default document format when qvf-writer is installed, and QVF support is included in the Linux and macOS package profiles. Source installations can save .vsk without it. Import supported structures and reactions from other QVF producers while protecting the original calculation files. Checked names use the optional vibe-qc naming engine.
Availability
The manual and current macOS and Linux desktop releases are public. Windows Store editions will be available for purchase after Store publication.
Licensing
vibe-sketcher uses MPL-2.0, like vibe-qc, vibe-viewer and vibe-scheduler. QVF is a separate Apache-2.0 project. Third-party components retain their own licenses and notices.
A place in
your workflow.
The current release is available for macOS Apple Silicon and Linux x86-64 with matching source and checksums on the downloads page. The commands below apply to a source checkout. macOS downloads are ad-hoc signed and not Apple-notarized. Windows editions remain planned paid Store purchases.
Full installation guideSystem requirements
For a source installation: Python 3.12 or newer, plus Node.js 22 or newer when building the browser or desktop interface. The Linux x86-64 package profile bundles Python, RDKit, QVF support and the editor. Apple Silicon package tooling targets macOS 14 or newer.
./scripts/install.sh
.venv/bin/vibe-sketch serve --openInstall independently from the other tools. Existing releases keep the vibe-sketch command and vibesketch Python import. Optional handoffs require the corresponding tool.
Matching source archives are included with the released downloads.
The details
are here.
License: MPL-2.0. License and notices Third-party components retain their own licenses.