vibe-qc is now published in the Journal of Computational Chemistry
The vibe-qc paper, describing the electronic-structure engine of the vibyverse, is now published in the Journal of Computational Chemistry.
FREE AND OPEN SOURCE
The ecosystem for
computational chemistry.
A connected universe of tools to draw, calculate,
and explore. Follow your curiosity, from the first
idea to the next discovery.
FIVE PROJECTS.ONE SHARED CURIOSITY.
FIG. 001 / A LITTLE QUANTUM WONDER
yxAN ORBITAL-INSPIRED PLAYGROUND
01 / THE ECOSYSTEMDifferent tools.
Different tools.
Shared orbit.
Good science takes more than a single program.
Meet five projects with their own purpose,
connected by the way you work.
01 / Sketchvibe-sketch
Every discovery starts with an idea.
A chemical drawing tool developed by agentic engineering for structures, reactions, publication graphics, and calculation inputs.
02 / Submitvibe-queue
Keep your calculations moving.
A job manager developed by agentic engineering to submit, track, and retrieve command-line work across your laptop, remote machines over SSH, and configured PBS or Slurm clusters. Built for chemistry, useful beyond it.
03 / Calculatevibe-qc
The engine of your curiosity.
An electronic-structure engine developed by agentic engineering for molecules and periodic solids. A Python interface meets a C++ core, with method status and scientific documentation close at hand.
04 / Analyzevibe-view
See what the numbers are saying.
A visualization tool developed by agentic engineering for structures, orbitals, densities, and spectra from qvf archives and supported chemistry files. Work in a browser, on the desktop, in a terminal, or through Python.
+ / Connectqvf
Give your results a common language.
The Quantum Visualization Format and its reference toolkit are developed by agentic engineering to keep structure, scientific data, and provenance in one shareable archive. The format is independent; the toolkit is Apache-2.0 licensed.
Independent tools, developed by agentic engineering.Documentation & developer resources
02 / THE BIGGER PICTUREFollow the idea.
Follow the idea.
Find something new.
From a structure on the page to a result
you can explore. A place for every part
of your scientific process.
01 / SketchGive it shape.
Turn a chemical idea into a structure with vibe-sketch.
02 / SubmitLet it run.
Put your machines to work with vibe-queue.
03 / CalculateAsk the electrons.
Explore molecular and periodic chemistry with vibe-qc.
04 / AnalyzeSee the possibility.
Look closer at your structures and results with vibe-view.
+ / Connectqvf connects the picture. A shared format for scientific data and its context.
Meet the format03 / THE JOURNAL
All stories →News and stories
The vibe-sketch preprint is now on ChemRxiv
vibe-sketch connects drawing, publication graphics and calculation preparation. The preprint is now on ChemRxiv.
Meet the vibyverse.
Five projects. A shared curiosity. A new home for the ideas, tools, and people behind the calculations.
04 / RESEARCH & PUBLICATIONSBuilt on ideas.
Built on ideas.
Shared through research.
Read the papers behind the ecosystem and discover selected research citing our work.
Explore publications & citations ↗vibe-sketchvibe-sketch for Chemical Structure Drawing and Calculation Preparationvibe-qcvibe-qc: An Open-Source, General-Purpose Electronic-Structure Code for Molecules and Solids Developed With Generative AIvibe-view + qvfVIBE-VIEW and QVF: portable visualization and checksummed archives for quantum chemistryCITATION HIGHLIGHTSWhere the conversation goes next.
BUILT WITH CURIOSITY
Serious about the science.
Open to the possibilities.
The vibyverse brings together quantum chemistry tools developed by agentic engineering under the scientific direction of Dr. Michael F. Peintinger. Independent tools, a connected vision, and a belief that the work around a calculation matters too.
SPONSORSHIP & SUPPORTGood science.
Good science.
Stronger together.
The vibyverse grows through the time, care, and resources behind each release. Help sustain independent quantum chemistry tools, from development and scientific validation to documentation and long-term maintenance.
01 / INSTITUTIONAL SPONSORSHIP
Fund the work.
Universities, foundations and companies can fund development time and testing, and keep the tools open for everyone.
Talk to us02 / COMPUTING & INFRASTRUCTURE
Share your resources.
Contribute compute time, hardware access, or infrastructure to help test and improve the tools.
03 / COMMUNITY CONTRIBUTIONS
Bring your expertise.
Help with benchmarks, bug reports, code, documentation, or teaching materials. Every contribution helps the ecosystem grow.
Find developer resourcesSupporting as an individual?
Support us on Ko-fiHave another way to help? Get in touch at project@vibe-qc.com.