Tutorials

Follow these walkthroughs with the browser app or the desktop window. Each starts with a small, reproducible example and ends with a file you can use. The screenshots show the actual application; the canvas and properties panel are the same in both versions. Click a screenshot to inspect it at full size.

Start here	You will make	What you need
Your first molecule	An ethanol document and an SVG figure	vibe-sketch and its built browser app
A reaction sketch	An esterification scheme with four species	The same installation
Draw, publish and calculate a reaction	A hand-drawn hydrogenation, a publication SVG and three queued vibe-qc calculations	vibe-sketch; vibe-queue and vibe-qc for the calculation section
From sketch to a vibe-qc calculation input	A 3D geometry and a B3LYP/def2-SVP vibe-qc script	The same installation; vibe-qc is needed only to run the script

Explore every implemented feature

Guide	You will practise
Diels–Alder drawing and publication	Bonds, rings, roles, editable masters, SVG and browser PNG
Mechanisms and linked steps	Electron arrows, two-step schemes, annotations and Suzuki drawing
Formats and QVF results	Open/append, every exchange format, large V3000 and preserving results
Stereo and properties	Wedges, E/Z, isotopes, charge/spin and naming confidence
Cleanup and 3D	Geometry preparation, cache/replacement, conformers and warnings
vibe-qc task families	Five tasks, options, batch inputs and explicit refusals
Portable writers and optional ORCA	XYZ, QCSchema and six ORCA tasks
Queue lifecycle	Submit, complete, cancel, reopen and fetch real vibe-qc runs
CLI, SDK, REST and MCP	Runnable clients, shared edits, provenance and revision conflicts
Desktop workflow	First-run setup, open/save/copy, recent files and native menus
Keyboard and palettes	Focus, menu navigation and the compact palette
Feature coverage map	Find an example for every CLI command, REST route and MCP tool

The named reactions are teaching examples, not experimental recipes. Generated inputs are labelled as such; completed-calculation screenshots come from real vibe-qc runs. Planned features are explicitly separated in the coverage map.

For scripting, use the downloadable examples. They reproduce the molecule-to-input workflow through the CLI, Python SDK and REST API, with an equivalent MCP recipe for an agent.

• Your first molecule
• A reaction sketch
• Draw a reaction, publish the figure and run it with vibe-qc
• From sketch to a vibe-qc calculation input
• Draw and publish a Diels–Alder reaction
• Annotate mechanisms and connect reaction steps
• Exchange structures and keep calculation results intact
• Check stereochemistry, properties, names and spin
• Clean the drawing and prepare 3D geometry
• Generate every supported vibe-qc task
• Portable geometry and optional ORCA inputs
• Follow, cancel and reopen vibe-qc calculations
• Reproduce a reaction with CLI, Python, REST and MCP
• Open, edit and save in the desktop app
• Use the keyboard and compact palette
• Find a worked example for a feature