The major revision of the vibe-qc paper has been resubmitted. Alongside the scientific work, I have spent the past weeks making the software easier to obtain and use independently. The former monolithic repository has been split into vibe-qc, vibe-view, vibe-queue, and QVF, with public release mirrors on GitHub.
I am also looking for sponsors. vibe-qc is an independently developed quantum-chemistry project, and the costs of maintaining it extend well beyond writing code. Financial contributions, access to computing resources, and practical help from users can all make a difference. Below I explain what has changed and how individuals, research groups, and companies can support the work.
Why split the repository?
A single repository was a practical starting point. The calculation engine, viewer, scheduler, and file format developed together, and keeping them in one place simplified the build and testing infrastructure. A change to a calculation could be followed immediately through its output and into the viewer.
That arrangement was convenient for development, but less convenient for someone who wanted only one part of the software. A researcher should be able to use vibe-view with output from another quantum-chemistry program without first obtaining the vibe-qc engine. A developer interested in QVF should be able to work from the format specification and reference implementation directly.
The split makes those boundaries explicit:
| Repository | Purpose |
|---|---|
| vibe-qc | The electronic-structure code for molecular and periodic calculations, with a Python interface and a C++ core. |
| vibe-view | A standalone viewer for structures and calculation results, including orbital and density visualization. |
| vibe-queue | The scheduler and machine-management tools, used through the vq command. |
| QVF | The Quantum Visualization Format specification, schema, conformance examples, and reference implementations. |
The applications can still be used together. The difference is that adopting one no longer requires adopting all of them. Separating the repositories has required work on packaging, dependencies, release procedures, and documentation. It should make external use and contributions more manageable as the projects grow.
Public mirrors, with development on our own server
The software was already distributed under open-source licenses. Source access was previously provided on request through deploy keys on our own server; the keys protected access to that infrastructure. The new GitHub mirrors remove that access step: anyone can browse or clone the public repositories directly.
An automatic mirroring mechanism publishes the code to GitHub whenever we release a new version of any of the four codebases. Development continues on our own server, where the build, testing, and development tools are integrated. GitHub provides the public release mirrors.
vibe-qc, vibe-view, and vibe-queue use the Mozilla Public License 2.0. QVF uses the Apache License 2.0. Each repository contains its license and documentation. If you want to inspect an implementation, try a tool, or build on the format, the GitHub organization is now a direct starting point.
A viewer that can be useful on its own
The viewer is a particularly useful reason for the split. Much of the work after a calculation consists of inspecting results: checking a geometry, identifying an orbital, examining a density, or understanding a periodic structure. Those tasks should not depend on which program performed the calculation.
vibe-view has terminal, desktop, and browser interfaces. Its separate repository allows it to be installed and developed independently of the calculation engine. QVF remains the default format, while TREXIO support in vibe-qc and vibe-view provides another route for exchanging calculation data. Work on QCSchema support is continuing.
The viewer tutorial gives examples of working with molecular and periodic results. Contributions that improve imports, explain a workflow, or identify an awkward interaction are useful even when they involve no changes to the electronic-structure code.
What I want to build, and what support makes possible
The scientific aim remains the development of a general-purpose molecular and periodic quantum-chemistry code with agentic AI under expert human direction. Writing an implementation is only part of that work. It also needs comparisons with independent calculations, understandable documentation, reliable builds, and examples that other researchers can reproduce.
My longer-term interests include bringing correlated methods into the cyclic cluster framework for solids. That is ongoing research, with experimental work to be reported separately when it is ready. Maintaining the software used for the current calculations and developing new methods both require sustained time and computing resources.
I develop vibe-qc alongside my regular work and fund the project independently. The support pages describe the practical needs: development tools, suitable hardware, build machines, reference data, and the infrastructure used to distribute the software and documentation. More resources would allow broader testing across machines and larger scientific comparisons, as well as supporting the routine work needed to keep releases usable.
How to support vibe-qc
1. Make a one-time contribution
Ko-fi is the available route for a one-time financial contribution. Any amount is welcome. Small contributions help with recurring costs; larger contributions can help fund hardware, reference resources, or a particular infrastructure need.
Contributors can opt into the permanent supporter list. Public recognition is optional, and a name can be removed on request.
2. Become a recurring sponsor
The sponsorship program defines three monthly levels:
| Level | Monthly contribution (USD) | Optional public recognition |
|---|---|---|
| Silver | $25 | A compact logo or public name on the active sponsor wall, with a website link. |
| Gold | $100 | A featured logo or public name, with a website link. |
| Platinum | $250 | The largest logo or public name placement at the top of the active sponsor wall, with a website link. |
Recurring support makes it easier to plan ongoing costs. The monthly checkout is still being configured, so please contact me at mpei@vibe-qc.com to discuss a recurring sponsorship. The sponsor page will carry the payment route when it is available.
Active sponsor recognition lasts for the period of support. Anyone who has contributed can also opt into the permanent supporter list, including former monthly sponsors.
3. Support the project as a company or research organization
If your organization uses the tools, has an interest in open quantum-chemistry software, or would like to support the infrastructure, please get in touch. We can discuss the published sponsorship levels or a larger contribution suited to a concrete need, such as a build machine or access to reference resources.
The code remains open, with no sponsor-only features. Sponsorship supports the project; scientific conclusions and validation remain independent. The sponsor page sets out the recognition policy and funding priorities.
4. Contribute hardware or access to computing resources
Useful support need not be a payment. Access to a suitable compute node, a high-memory machine, or additional build hardware can help test calculations and installation procedures on systems beyond those I own. Hardware donations can serve the same purpose.
Please contact me before making arrangements so that we can establish what would be useful and how it could be used. A machine that can run repeatable tests reliably may be more valuable than a short allocation on a much larger system.
5. Help improve the software and its documentation
There are several useful ways to contribute time and expertise:
- Try an installation and report problems. Include the platform, version, commands, and error output so the problem can be reproduced.
- Provide a small calculation that exposes an error. A minimal input and a well-defined reference are particularly helpful.
- Contribute code, tests, or documentation. The separate repositories make it easier to work on the component you use.
- Write or improve a tutorial. Clear examples lower the effort needed for the next person to try the software.
- Offer scientific feedback. Method limitations, difficult cases, and comparisons with independent implementations help guide the work.
- Cite and share the project when appropriate. A citation for software used in research, a link to a useful tutorial, or a recommendation to a colleague helps others find it.
Please follow the contribution guidance in the relevant repository. A precise bug report or a careful check of one calculation is a worthwhile contribution in its own right.
An invitation
The four repositories make it easier to use the parts of vibe-qc that are relevant to your work. The public mirrors make the source easier to obtain. I would now like to put the continuing development and maintenance on a firmer financial basis.
If you would like to help, you can make a contribution on Ko-fi, read the sponsorship options, or contact me directly. If you would rather contribute a calculation, a correction, or some code, start with the public repositories.
Thank you to everyone who has tested the software, discussed the science, and helped improve the project.