Metadata-Version: 2.1
Name: poremks
Version: 1.0.6
Summary: for analytics on nanoporous molecular structures
Home-page: https://auag92.github.io
Author: Apaar Shanker
Author-email: apaar92@gmail.com
License: MIT
Description: 
        ## Table of contents
        * [General info](#general-info)
        * [Technologies](#technologies)
        * [Setup](#setup)
        * [Usage](#usage)
        * [Status](#status)
        * [References](#references)
        * [Issues](#issues)
        
        
        ## General info
        poreMKS is a tool for the analytics of porous molecular structures.
        
        The Molecular Structure of DDR: ![DDR Structure](./images/DDR_structure.gif)
        
        The pore region of DDR embedded within the molecular structure. ![All Admissible Pore Structure](./images/DDR_pore_all.gif)
        
        The pore region of DDR accessible by a 1.5A radius probe is visualized as below: ![Accessible Structure](./images/DDR_pore_cleaned.gif)
        
        The skeleton of the pore structure overlayed on the pore volume is visualized as below: ![Accessible Path Structure](./images/DDR_skeleton_pore.gif)
        
        The shortest paths for the probe through the pore structure are visualized as below: ![shortest paths](./images/DDR_graph.gif)
        
        
        ## Technologies
        Project is created with:
        * scikit-image version: ---
        * scipy version: ---
        * numpy version: ---
        * numba version: ---
        * pytorch version: ---
        * pytoolz version: ---
        
        
        ## Setup
        To run this project, install it locally using conda:
        
        ```
        $ cd ../<project_directory>
        $ conda create -n poremks python=3.6
        $ conda activate
        $ pip install edt
        $ conda install numba
        $ conda install pytorch-cpu torchvision-cpu -c pytorch
        ```
        Conda is a package and environment manager bundled with anaconda python distribution.
        See, [https://www.continuum.io/downloads](https://www.continuum.io/downloads) for more details on installing and using Conda.  
        
        **Windows Users** need to install visual studio build tools, in order to the compile c/c++ files assosciated with some of the dependencies.
        
        
        ## Usage
        Refer to the [jupyter notebook](./scripts/tutorial_poreMKS.ipynb) in the doc folder.
        
        
        ## Status
        poreMKS is currently under active development.
        
        
        ## References
        [ReadMe](https://bulldogjob.com/news/449-how-to-write-a-good-readme-for-your-github-project)
        
        
        ## Issues
        
        Please send questions and issues about installation and usage of PyMKS to [apaar92@gmail.com](mailto:apaar92@gmail.com)
        
Platform: UNKNOWN
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Programming Language :: Python :: Implementation :: PyPy
Requires-Python: >=3.6.0
Description-Content-Type: text/markdown
Provides-Extra: fast FFT
Provides-Extra: fast euclidean distance transform
