WORKFLOWS / FROM IDEA TO INSIGHT

Follow your question.
Connect your tools.

Start where your work starts. Each application is independently installed, with QVF available to carry scientific data between supported producers and consumers.

01 / Sketch

vibe-sketcher

Draw structures, reactions and mechanisms. Prepare 3D geometries, calculation inputs and publication graphics.

Explore the tool Quickstart
02 / Submit

vibe-scheduler

Submit and track command-line jobs locally, over SSH or through an HTTPS gateway, with daemon, PBS and Slurm execution backends.

Explore the tool Running jobs
03 / Calculate

vibe-qc

Electronic-structure calculations for molecules and periodic solids, with a Python front end and a C++17 engine.

Explore the tool Tutorial learning paths
04 / Analyze

vibe-viewer

Inspect and edit structures, explore orbitals and volumes, and analyze spectra, bands and excited states from QVF and supported chemistry formats.

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Keep the science
in context.

Prepare and inspect

Draw a structure, export a supported input, and review the calculation settings before submitting. File conversion does not guarantee a method or property is supported.

Run and follow

Use vq to submit a supported command and follow its results. The scheduler does not select the scientific method, install the engine or change running calculations when you open this website.

Explore and share

Open the results a producer actually wrote. Keep the original calculation inputs, version and archive alongside figures and derived files.

Meet the shared format