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unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"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":["computational-chemistry","database-platform","distributed-computing","python","quantum-chemistry"],"created_at":"2025-10-21T19:52:49.563Z","updated_at":"2026-02-24T04:02:14.407Z","avatar_url":"https://github.com/MolSSI.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# QCArchive\n\n\u003cp align=\"center\"\u003e\n    \u003cpicture\u003e\n      \u003csource media=\"(prefers-color-scheme: light)\" srcset=\"https://molssi.github.io/QCFractal/_static/molssi_main_logo.png\"\u003e\n      \u003csource media=\"(prefers-color-scheme: dark)\" srcset=\"https://molssi.github.io/QCFractal/_static/molssi_main_logo_inverted_white.png\"\u003e\n      \u003cimg alt=\"MolSSI Logo\" src=\"https://molssi.github.io/QCFractal/_static/molssi_main_logo.png\" height=\"100px\"\u003e\n    \u003c/picture\u003e\n    \u003cpicture\u003e\n      \u003csource media=\"(prefers-color-scheme: light)\" srcset=\"https://molssi.github.io/QCFractal/_static/qcarchive_logo.svg\"\u003e\n      \u003csource media=\"(prefers-color-scheme: dark)\" srcset=\"https://molssi.github.io/QCFractal/_static/qcarchive_logo_inverted.svg\"\u003e\n      \u003cimg alt=\"QCArchive Logo\" src=\"https://molssi.github.io/QCFractal/_static/qcarchive_logo.svg\" height=\"100px\"\u003e\n    \u003c/picture\u003e\n\u003c/p\u003e\n\n\nA platform for compute, managing, compiling, and sharing large amounts of quantum chemistry data\n\n## Introduction\n\nQCArchive is a platform that makes running large numbers of quantum chemistry calculations in a\nrobust and scalable manner accessible to computational chemists.\nQCArchive is designed to handle thousands to millions of computations,\nstoring them in a database for later sharing, retrieval and analysis, or export.\n\n## Documentation\n\nFull documentation available [here](https://molssi.github.io/QCFractal)\n\n## Installing from the git repo\n\nTo install these packages with pip directly from this git repository,\n\n```shell\npip install ./qcportal ./qcfractal ./qcfractalcompute ./qcarchivetesting\n```\n\nor, for a developer (editable) install,\n\n```shell\npip install -e ./qcportal -e ./qcfractal -e ./qcfractalcompute -e ./qcarchivetesting\n```\n\n## About this repository\n\nThis repository follows a [monorepo](https://en.wikipedia.org/wiki/Monorepo) layout.\nThat is, this single repository contains several different python packages, each with its\nown setup information (`pyproject.toml`).\n\n * `qcfractal` - The main QCFractal server (database and web API)\n * `qcportal` - Python client for interacting with the server\n * `qcfractalcompute` - Workers that are deployed to run computations\n * `qcarchivetesting` - Helpers and pytest harnesses for testing QCArchive components\n\nThe reason for this is that at this stage, these components are very dependent on each other, and\nchange one often requires changing others. This layout allows for that, while also being able\nto create/distribute separate python packages (that is, `qcportal` can be packaged separately and uploaded to\nPyPI or conda-forge).\n\n##  License\n\nBSD-3C. See the [License File](LICENSE) for more information.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmolssi%2Fqcfractal","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmolssi%2Fqcfractal","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmolssi%2Fqcfractal/lists"}