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        "author": "Kirsten Winther",
        "author_email": "winther@stanford.edu",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 4 - Beta",
            "Intended Audience :: Developers",
            "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
            "Programming Language :: Python",
            "Programming Language :: Python :: 2",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3",
            "Programming Language :: Python :: 3.5",
            "Programming Language :: Python :: 3.6",
            "Topic :: Scientific/Engineering :: Chemistry"
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        "description": "## Introduction\n\nCatHub provides an interface to the Surface Reactions database on [Catalysis-Hub.org](http://www.catalysis-hub.org).\n\nThe module includes a command line interface that can be used to access and upload data. A short guide is given below. We refer to the [catalysis-hub documentation](http://docs.catalysis-hub.org/en/latest/tutorials/upload.html) for details on how to submit data.\n\n## Using the cathub cli\n\nRun `cathub`, like so\n\n    cathub --help\n\nor with any of its sub-commands, like so\n\n    cathub reactions --help\n\n## Examples\n\nQuerying the Surface Reactions database:\n\n    cathub reactions -q reactants=CO -q chemicalComposition=~Pt\n\n    cathub publications -q title=~Evolution -q year=2017\n\nQuerying atomic structures on Catalysis Hub with ase db:\n\n    cathub ase 'AgSr' --gui\n\n## Uploading data\n\nOrganizing a general folder into a structured folder:\n\n    cathub organize <folderame> -a <ads1,ads2> -c <dft-code> -x <xc-functional> -f <facet> -S <crystal structure>\n\nAs an alternative to cathub organize - create an empty organized folderstructure for dropping files yourself. First create a template and edit it, then create the folders.\n    cathub make_folders --create-template <template>\n    cathub make_folders <template>\n\nReading folders into a local .db file:\n\n    cathub folder2db <foldername>\n\nSending the data to the Catalysis Hub server:\n\n    cathub db2server <dbfile>\n\n\n",
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        "license": "GPL-3.0",
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        "name": "Cathub",
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