vibe-sketch connects chemical structure drawing, publication graphics and calculation preparation in one editable document. The preprint describing it is now on ChemRxiv.
The paper follows one example from start to finish: butadiene and ethene forming cyclohexene. The reaction starts as a sketch, becomes a 3D geometry, runs through twelve vibe-qc calculations and ends with the orbitals in vibe-view.
vibe-sketch is open source under the MPL-2.0 licence and available for macOS and Linux. Download it and try it on your next reaction scheme.
- Read the preprint on ChemRxiv ↗
- Research page and citation →
- Docs and downloads ↗
- Follow vibyverse on LinkedIn ↗
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