{"id":32177152,"url":"https://github.com/quantum-accelerators/quacc","last_synced_at":"2026-06-09T05:01:26.896Z","repository":{"id":37152694,"uuid":"439713489","full_name":"Quantum-Accelerators/quacc","owner":"Quantum-Accelerators","description":"quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.","archived":false,"fork":false,"pushed_at":"2026-06-07T01:28:04.000Z","size":79025,"stargazers_count":264,"open_issues_count":38,"forks_count":72,"subscribers_count":4,"default_branch":"main","last_synced_at":"2026-06-07T03:39:36.838Z","etag":null,"topics":["chemistry","computational-materials-science","database","dft","high-throughput","hpc","python","quantum-chemistry","quantum-mechanics","workflow"],"latest_commit_sha":null,"homepage":"https://quantum-accelerators.github.io/quacc/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/Quantum-Accelerators.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.md","contributing":null,"funding":null,"license":"LICENSE.md","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":"CITATION.cff","codeowners":".github/CODEOWNERS","security":"SECURITY.md","support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2021-12-18T20:57:31.000Z","updated_at":"2026-06-04T01:18:36.000Z","dependencies_parsed_at":"2024-04-06T03:25:21.880Z","dependency_job_id":"32b825f0-db87-4bc7-8d00-15917242cf95","html_url":"https://github.com/Quantum-Accelerators/quacc","commit_stats":null,"previous_names":["quantum-accelerators/quacc","arosen93/quacc"],"tags_count":134,"template":false,"template_full_name":null,"purl":"pkg:github/Quantum-Accelerators/quacc","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Quantum-Accelerators%2Fquacc","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Quantum-Accelerators%2Fquacc/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Quantum-Accelerators%2Fquacc/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Quantum-Accelerators%2Fquacc/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Quantum-Accelerators","download_url":"https://codeload.github.com/Quantum-Accelerators/quacc/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Quantum-Accelerators%2Fquacc/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":34092262,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-05-26T15:22:16.424Z","status":"online","status_checked_at":"2026-06-09T02:00:06.510Z","response_time":63,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["chemistry","computational-materials-science","database","dft","high-throughput","hpc","python","quantum-chemistry","quantum-mechanics","workflow"],"created_at":"2025-10-21T20:01:41.815Z","updated_at":"2026-06-09T05:01:26.819Z","avatar_url":"https://github.com/Quantum-Accelerators.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"\u003cdiv align=\"center\"\u003e\n  \u003cimg src=https://github.com/Quantum-Accelerators/quacc/blob/main/docs/images/quacc_logo_wide.png width=\"300\"\u003e\u003cbr\u003e\n\u003c/div\u003e\n\n# `quacc` – The Quantum Accelerator 🦆\n\n[![codecov](https://codecov.io/gh/Quantum-Accelerators/quacc/branch/main/graph/badge.svg?token=OJaOZAH30u\u0026precision=1)](https://codecov.io/gh/Quantum-Accelerators/quacc)\n![Python - Version](https://img.shields.io/pypi/pyversions/quacc)\n![PyPI - Version](https://img.shields.io/pypi/v/quacc?color=blue\u0026link=https%3A%2F%2Fpypi.org%2Fproject%2Fquacc%2F)\n[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7720998.svg)](https://doi.org/10.5281/zenodo.7720998)\n\n`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.\n\n- `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.\n\n- `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.\n\n- `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.\n\n## Documentation 📖\n\n\u003cp align=\"center\"\u003e\n     \u003ca href=\"https://quantum-accelerators.github.io/quacc/\"\u003e\u003cb\u003e\u003ci\u003eLearn More Here!\u003c/i\u003e\u003c/b\u003e\u003c/a\u003e\n\u003c/p\u003e\n\n... or skip to one of the following sections:\n\n- 🔧 [Installation Guide](https://quantum-accelerators.github.io/quacc/install/install.html)\n- 🧠 [User Guide](https://quantum-accelerators.github.io/quacc/user/recipes/recipes_intro.html)\n- 🤝 [Developer Guide](https://quantum-accelerators.github.io/quacc/dev/contributing.html)\n\n## Citation 📝\n\nIf you use `quacc` in your work, please cite it as follows:\n\n- quacc – The Quantum Accelerator, https://doi.org/10.5281/zenodo.7720998.\n\n## License ⚖️\n\n`quacc` is released under a [BSD 3-Clause license](https://github.com/quantum-accelerators/quacc/blob/main/LICENSE.md).\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fquantum-accelerators%2Fquacc","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fquantum-accelerators%2Fquacc","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fquantum-accelerators%2Fquacc/lists"}