Start with the work
you need to do.
The queued workflow is sketch → submit → calculate → analyze. For a direct local run, skip submission. Each tool also works independently.
Sketch a molecular structure
Draw or import a structure, clean up its layout and generate a 3D geometry. Choose supported job settings and export a vibe-qc or ORCA input. Check charge, multiplicity, method and basis before running it.
Read the sketcher input guide ↗Submit the calculation
Configure a local or remote host, submit the command with its input workspace, and follow the job through completion. The queue can run other command-line software as well as vibe-qc.
Follow the job guide ↗Run your first calculation
The engine executes the prepared input on the selected host. For a first local example, begin with a small Hartree–Fock calculation on water. Read the SCF energy and orbital energies, then use the tutorial paths to add DFT, correlation, properties or periodic boundary conditions.
Run the water example ↗Analyze and share the result
Open a QVF archive or a supported structure and volume file. Inspect available structures, orbitals, densities and spectra; use the headless interface when you need repeatable figures.
Follow the viewer workflows ↗Reproducibility travels with the files.
Keep the exact software version, geometry or cell, units, method, basis, approximations and convergence settings with your result. For a method comparison, use the same specification and the tolerances documented in the reference.
Read the validation evidence ↗