qforce

Name	qforce JSON
Version	0.6.12 JSON
	download
home_page	https://github.com/selimsami/qforce
Summary	Q-Force: Quantum mechanically augmented molecular force fields
upload_time	2023-11-03 22:50:00
maintainer
docs_url	None
author	Selim Sami
requires_python
license
keywords	qm forcefield md
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage

            <img src="https://i.imgur.com/jZG5MNO.jpg" height="200">

## **Q**uantum Mechanically augmented molecular **force** fields
[//]: # (Badges)
[![GitHub Actions Build Status](https://github.com/selimsami/qforce/workflows/CI/badge.svg)](https://github.com/selimsami/qforce/actions?query=workflow%3ACI)
[![codecov](https://codecov.io/gh/selimsami/qforce/branch/master/graph/badge.svg)](https://codecov.io/gh/selimsami/qforce/branch/master)
![license](https://img.shields.io/github/license/selimsami/qforce)

Please see the [Documentation](https://qforce.readthedocs.io/).



If you use Q-Force, please cite:


[Sami, S.; Menger, M. F. S. J.; Faraji, S.; Broer, R.; Havenith, R. W. A., Q-Force: Quantum Mechanically Augmented Molecular Force Fields. Journal of Chemical Theory and Computation 2021, 17 (8), 4946-4960.](https://pubs.acs.org/doi/10.1021/acs.jctc.1c00195)


            

Raw data

            {
    "_id": null,
    "home_page": "https://github.com/selimsami/qforce",
    "name": "qforce",
    "maintainer": "",
    "docs_url": null,
    "requires_python": "",
    "maintainer_email": "",
    "keywords": "qm forcefield md",
    "author": "Selim Sami",
    "author_email": "s.sami@rug.nl",
    "download_url": "https://files.pythonhosted.org/packages/15/9d/e302b28f4a270ad22616b3a7400cf64b7a813d99dac31a697d0c4a1b4e2f/qforce-0.6.12.tar.gz",
    "platform": null,
    "description": "<img src=\"https://i.imgur.com/jZG5MNO.jpg\" height=\"200\">\n\n## **Q**uantum Mechanically augmented molecular **force** fields\n[//]: # (Badges)\n[![GitHub Actions Build Status](https://github.com/selimsami/qforce/workflows/CI/badge.svg)](https://github.com/selimsami/qforce/actions?query=workflow%3ACI)\n[![codecov](https://codecov.io/gh/selimsami/qforce/branch/master/graph/badge.svg)](https://codecov.io/gh/selimsami/qforce/branch/master)\n![license](https://img.shields.io/github/license/selimsami/qforce)\n\nPlease see the [Documentation](https://qforce.readthedocs.io/).\n\n\n\nIf you use Q-Force, please cite:\n\n\n[Sami, S.; Menger, M. F. S. J.; Faraji, S.; Broer, R.; Havenith, R. W. A., Q-Force: Quantum Mechanically Augmented Molecular Force Fields. Journal of Chemical Theory and Computation 2021, 17 (8), 4946-4960.](https://pubs.acs.org/doi/10.1021/acs.jctc.1c00195)\n\n",
    "bugtrack_url": null,
    "license": "",
    "summary": "Q-Force: Quantum mechanically augmented molecular force fields",
    "version": "0.6.12",
    "project_urls": {
        "Homepage": "https://github.com/selimsami/qforce"
    },
    "split_keywords": [
        "qm",
        "forcefield",
        "md"
    ],
    "urls": [
        {
            "comment_text": "",
            "digests": {
                "blake2b_256": "159de302b28f4a270ad22616b3a7400cf64b7a813d99dac31a697d0c4a1b4e2f",
                "md5": "a196b4870d8f0d9158020e9b43f40f82",
                "sha256": "630c67f1902eecf048fd57c51146fc846191ff6a1bb8a2c4d49d326ff0f12c91"
            },
            "downloads": -1,
            "filename": "qforce-0.6.12.tar.gz",
            "has_sig": false,
            "md5_digest": "a196b4870d8f0d9158020e9b43f40f82",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": null,
            "size": 331073,
            "upload_time": "2023-11-03T22:50:00",
            "upload_time_iso_8601": "2023-11-03T22:50:00.515458Z",
            "url": "https://files.pythonhosted.org/packages/15/9d/e302b28f4a270ad22616b3a7400cf64b7a813d99dac31a697d0c4a1b4e2f/qforce-0.6.12.tar.gz",
            "yanked": false,
            "yanked_reason": null
        }
    ],
    "upload_time": "2023-11-03 22:50:00",
    "github": true,
    "gitlab": false,
    "bitbucket": false,
    "codeberg": false,
    "github_user": "selimsami",
    "github_project": "qforce",
    "travis_ci": false,
    "coveralls": true,
    "github_actions": true,
    "lcname": "qforce"
}