{
    "info": {
        "author": "Apaar Shanker",
        "author_email": "apaar92@gmail.com",
        "bugtrack_url": null,
        "classifiers": [
            "License :: OSI Approved :: MIT License",
            "Programming Language :: Python",
            "Programming Language :: Python :: 3",
            "Programming Language :: Python :: 3.6",
            "Programming Language :: Python :: Implementation :: CPython",
            "Programming Language :: Python :: Implementation :: PyPy"
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        "description": "\n## Table of contents\n* [General info](#general-info)\n* [Dependencies](#dependencies)\n* [Setup](#setup)\n* [Usage](#usage)\n* [Status](#status)\n* [References](#references)\n* [Issues](#issues)\n\n\n## General info\nporeMKS is a tool for the analytics of porous molecular structures.\n\nThe Molecular Structure of DDR: ![DDR Structure](./images/DDR_structure.gif)\n\nThe pore region of DDR embedded within the molecular structure. ![All Admissible Pore Structure](./images/DDR_pore_all.gif)\n\nThe pore region of DDR accessible by a 1.5A radius probe is visualized as below: ![Accessible Structure](./images/DDR_pore_cleaned.gif)\n\nThe skeleton of the pore structure overlayed on the pore volume is visualized as below: ![Accessible Path Structure](./images/DDR_skeleton_pore.gif)\n\nThe shortest paths for the probe through the pore structure are visualized as below: ![shortest paths](./images/DDR_graph.gif)\n\n\n## Dependencies\nProject is created with:\n* ase: 3.16.2\n* scikit-image version: 0.14.0\n* scipy version: 1.1.0\n* numpy version: 1.16.0\n* numba version: 0.39.0\n* pytorch version: 0.4.1\n* pytoolz version: 0.9.0\n\n\n## Setup\nTo run this project, install it locally using conda:\n\n```\n$ cd ../<project_directory>\n$ conda create -n poremks python=3.6\n$ conda activate poremks\n$ pip install -r requirements.txt\n$ conda install pytorch-cpu torchvision-cpu -c pytorch\n$ pip install poremks\n```\nConda is a package and environment manager bundled with anaconda python distribution.\nSee, [https://www.continuum.io/downloads](https://www.continuum.io/downloads) for more details on installing and using Conda.  \n\n**Windows Users** need to install visual studio build tools, in order to the compile c/c++ files assosciated with some of the dependencies.\n\n\n## Usage\nRefer to the [jupyter notebook](./scripts/tutorial_poreMKS.ipynb) in the doc folder.\n\n\n## Status\nporeMKS is currently under active development.\n\n\n## References\n[EDT](https://github.com/seung-lab/euclidean-distance-transform-3d/)\n[scikit-image](https://scikit-image.org/)\n[ReadMe](https://bulldogjob.com/news/449-how-to-write-a-good-readme-for-your-github-project)\n\n\n## Issues\n\nPlease send questions and issues about installation and usage of PyMKS to [apaar92@gmail.com](mailto:apaar92@gmail.com)\n\n\n",
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