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Top AI Repos tracks AI repositories on GitHub and answers two different questions about each one: is it moving right now, and would you bet a product on it.
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
| Date | Stars |
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| 2026-07-24 | 272 |
| 2026-07-25 | 272 |
| 2026-07-28 | 273 |
| 2026-07-30 | 273 |
| 2026-08-06 | 273 |
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<div align="center">
<img src=https://github.com/Quantum-Accelerators/quacc/blob/main/docs/images/quacc_logo_wide.png width="300"><br>
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# `quacc` – The Quantum Accelerator 🦆
[](https://codecov.io/gh/Quantum-Accelerators/quacc)
[](https://doi.org/10.5281/zenodo.7720998)
[](https://www.nsf.gov/awardsearch/show-award/?AWD_ID=2514141&HistoricalAwards=false)
`quacc` is a flexible platform for computational materials science 💎 and quantum chemistry 🧪 that is built for the automation era 🔥. It is maintained by the [Rosen Research Group](https://rosen.cbe.princeton.edu/) at Princeton University.
- `quacc` makes it possible to easily run pre-made [computational materials science workflows](https://quantum-accelerators.github.io/quacc/user/recipes/recipes_list.html) that can be efficiently dispatched anywhere: locally, HPC, the cloud, or any combination thereof.
- `quacc` gives you the freedom of choice. Through a single, unified interface to several [workflow management solutions](https://quantum-accelerators.github.io/quacc/user/basics/wflow_overview.html), you can use what best suits your unique computing needs.
- `quacc` leverages community resources so we don't reinvent the wheel. It is built around the Atomic Simulation Environment and much of the software infrastructure powering the Materials Project.
## Documentation 📖
<p align="center">
<a href="https://quantum-accelerators.github.io/quacc/"><b><i>Learn More Here!</i></b></a>
</p>
... or skip to one of the following sections:
- 🔧 [Installation Guide](https://quantum-accelerators.github.io/quacc/install/install.html)
- 🧠 [User Guide](https://quantum-accelerators.github.io/quacc/user/recipes/recipes_intro.html)
- 🤝 [Developer Guide](https://quantum-accelerators.github.io/quacc/dev/contributing.html)
## Citation 📝
If you use `quacc` in your work, please cite it as follows:
- quacc – The Quantum Accelerator, https://doi.org/10.5281/zenodo.7720998.
## License ⚖️
`quacc` is released under a [BSD 3-Clause license](https://github.com/quantum-accelerators/quacc/blob/main/LICENSE.md).
## Acknowledgment
This material is based upon work supported by the National Science Foundation under Award No. [OAC-2514141](https://www.nsf.gov/awardsearch/show-award/?AWD_ID=2514141&HistoricalAwards=false).
Excerpt of 2,742 characters
Read on GitHubWould you bet a product on this? Bounded 0–100 and slow moving.
matched fp:53090df7946a09f0, topic:hpc
matched fp:53090df7946a09f0, topic:workflow
matched fp:53090df7946a09f0, topic:chemistry