{
    "info": {
        "author": "Andrew E. Bruno",
        "author_email": "aebruno2@buffalo.edu",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 3 - Alpha",
            "Environment :: Console",
            "Intended Audience :: Developers",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: BSD License",
            "Programming Language :: Python",
            "Topic :: Scientific/Engineering :: Bio-Informatics"
        ],
        "description": "# pinky - molecular fingerprint library\n\npinky is library for generating molecular fingerprints from SMILES strings.\n\npinky includes a fork of the SMILES parser and mol builder from frowns\nhttp://frowns.sourceforge.net/ originally written by Brian Kelley with\ncontributions from Andrew Dalke.\n\nThis should be considered alpha software. The goal is to add more molecular\nfingerprint algorithms (currently only ECFP is supported). Also, would like to\nbattle test the SMILES parser to provide a robust pure python SMILES parsing\nlibrary.\n\n## Usage\n\n```python\nfrom pinky.smiles import smilin\nfrom pinky.fingerprints import ecfp\n\nmol = smilin('CCCC(=O)N')\nfor atom in mol.atoms:\n    print atom, atom.sumBondOrders()\nfor bond in mol.bonds:\n    print bond.symbol, bond.bondorder, bond.bondtype, bond.fixed\n\n# Compute ECFP_4 fingerprint\nfp = ecfp(mol, radius=2)\n```\n\n## License\n\nSee LICENSE file.\n\n\n",
        "description_content_type": "text/markdown",
        "docs_url": null,
        "download_url": "",
        "downloads": {
            "last_day": -1,
            "last_month": -1,
            "last_week": -1
        },
        "home_page": "https://github.com/ubccr/pinky",
        "keywords": "",
        "license": "BSD",
        "maintainer": "",
        "maintainer_email": "",
        "name": "pinky",
        "package_url": "https://pypi.org/project/pinky/",
        "platform": "",
        "project_url": "https://pypi.org/project/pinky/",
        "project_urls": {
            "Homepage": "https://github.com/ubccr/pinky"
        },
        "release_url": "https://pypi.org/project/pinky/0.0.3/",
        "requires_dist": [
            "bitarray"
        ],
        "requires_python": "",
        "summary": "pinky - molecular fingerprint library",
        "version": "0.0.3"
    },
    "last_serial": 5422418,
    "releases": {
        "0.0.1": [
            {
                "comment_text": "",
                "digests": {
                    "md5": "893e1d9a9acd6d6b30f77e1a9bdf69fd",
                    "sha256": "70daaa3a6b6308e5c7a7b9113aa993bb8c114ff6ec217de338df70f3f5769633"
                },
                "downloads": -1,
                "filename": "pinky-0.0.1.tar.gz",
                "has_sig": false,
                "md5_digest": "893e1d9a9acd6d6b30f77e1a9bdf69fd",
                "packagetype": "sdist",
                "python_version": "source",
                "requires_python": null,
                "size": 35463,
                "upload_time": "2014-05-19T18:09:22",
                "url": "https://files.pythonhosted.org/packages/8a/76/d292b340aae74de64f65e19fe3a56b19adf20787da70e405544147b47cf2/pinky-0.0.1.tar.gz"
            }
        ],
        "0.0.2": [
            {
                "comment_text": "",
                "digests": {
                    "md5": "533edb9d7c1d9fa86a2bbdce0ed571ea",
                    "sha256": "6fb279d0fbacc22212248fc26651722a08a41a07c27a21b80485b9e64a970cde"
                },
                "downloads": -1,
                "filename": "pinky-0.0.2.tar.gz",
                "has_sig": false,
                "md5_digest": "533edb9d7c1d9fa86a2bbdce0ed571ea",
                "packagetype": "sdist",
                "python_version": "source",
                "requires_python": null,
                "size": 35394,
                "upload_time": "2014-05-20T15:40:48",
                "url": "https://files.pythonhosted.org/packages/92/74/1f26ee18ecc52666e64aae22aa31cd5a3f11accf8417e4aca0d156f3613c/pinky-0.0.2.tar.gz"
            }
        ],
        "0.0.3": [
            {
                "comment_text": "",
                "digests": {
                    "md5": "d2a56e00c32f264ab151827bd2874c76",
                    "sha256": "ef3d05a8ebe3b22cc5385106054f1dbc0fff5c18a3424b682ea8bd5ce838e233"
                },
                "downloads": -1,
                "filename": "pinky-0.0.3-py3-none-any.whl",
                "has_sig": false,
                "md5_digest": "d2a56e00c32f264ab151827bd2874c76",
                "packagetype": "bdist_wheel",
                "python_version": "py3",
                "requires_python": null,
                "size": 52278,
                "upload_time": "2019-06-19T19:45:44",
                "url": "https://files.pythonhosted.org/packages/e3/fc/668816dd42b79e7a94dceb2fe48ec01ea68ce57c41adbd526531ce5d0826/pinky-0.0.3-py3-none-any.whl"
            },
            {
                "comment_text": "",
                "digests": {
                    "md5": "8ac0739c9763140d071d0c3731017d3d",
                    "sha256": "b6a8ebbdae04bfdb1240505ddfc660c03f312315d7f067eee19aea52766a85b5"
                },
                "downloads": -1,
                "filename": "pinky-0.0.3.tar.gz",
                "has_sig": false,
                "md5_digest": "8ac0739c9763140d071d0c3731017d3d",
                "packagetype": "sdist",
                "python_version": "source",
                "requires_python": null,
                "size": 35324,
                "upload_time": "2019-06-19T19:45:53",
                "url": "https://files.pythonhosted.org/packages/0b/25/8fe73da4a07ffabc6ce801740da1880895ae11525dfdc522aa3704429fd5/pinky-0.0.3.tar.gz"
            }
        ]
    },
    "urls": [
        {
            "comment_text": "",
            "digests": {
                "md5": "d2a56e00c32f264ab151827bd2874c76",
                "sha256": "ef3d05a8ebe3b22cc5385106054f1dbc0fff5c18a3424b682ea8bd5ce838e233"
            },
            "downloads": -1,
            "filename": "pinky-0.0.3-py3-none-any.whl",
            "has_sig": false,
            "md5_digest": "d2a56e00c32f264ab151827bd2874c76",
            "packagetype": "bdist_wheel",
            "python_version": "py3",
            "requires_python": null,
            "size": 52278,
            "upload_time": "2019-06-19T19:45:44",
            "url": "https://files.pythonhosted.org/packages/e3/fc/668816dd42b79e7a94dceb2fe48ec01ea68ce57c41adbd526531ce5d0826/pinky-0.0.3-py3-none-any.whl"
        },
        {
            "comment_text": "",
            "digests": {
                "md5": "8ac0739c9763140d071d0c3731017d3d",
                "sha256": "b6a8ebbdae04bfdb1240505ddfc660c03f312315d7f067eee19aea52766a85b5"
            },
            "downloads": -1,
            "filename": "pinky-0.0.3.tar.gz",
            "has_sig": false,
            "md5_digest": "8ac0739c9763140d071d0c3731017d3d",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": null,
            "size": 35324,
            "upload_time": "2019-06-19T19:45:53",
            "url": "https://files.pythonhosted.org/packages/0b/25/8fe73da4a07ffabc6ce801740da1880895ae11525dfdc522aa3704429fd5/pinky-0.0.3.tar.gz"
        }
    ]
}