Metadata-Version: 2.1
Name: global-chem-extensions
Version: 0.0.8
Summary: UNKNOWN
Home-page: https://www.github.com/Sulstice/global-chem-extensions
Author: Suliman Sharif
Author-email: sharifsuliman1@gmail.com
License: MPL 2.0
Description: Global-Chem-Extensions: Functinality for applications of GlobalChem for Cheminformaticians.
        ===========================================================================================
        
        
        [![License: MPL 2.0](https://img.shields.io/badge/License-MPL%202.0-brightgreen.svg)](https://opensource.org/licenses/MPL-2.0)
        ![Python](https://img.shields.io/badge/python-3.6-blue.svg)
        ![Repo Size](https://img.shields.io/github/repo-size/Sulstice/global-chem)
        [![PRs Welcome](https://img.shields.io/badge/PRs-welcome-brightgreen.svg?style=flat-square)](http://makeapullrequest.com)
        [![PEP8](https://img.shields.io/badge/code%20style-pep8-orange.svg)](https://www.python.org/dev/peps/pep-0008/)
        [![DOI](https://zenodo.org/badge/459776043.svg)](https://zenodo.org/badge/latestdoi/459776043)
        
        Global Chem is an open-source graph database and api for common and rare chemical lists using IUPAC as input and SMILES/SMARTS as output. As 
        mostly needed by myself as I search through chemical infinity.
        
        I have useful tools I use to analyze chemical data starting with functional groups. 
        
        Installation 
        ============
        
        GlobalChemExtensions is going to be distribute via PyPi and as the content store grows we can expand it to other pieces of software
        making it accessible to all regardless of what you use. Alternatively, you could have a glance at the source code and copy/paste
        it yourself.
        
        ```
        
        pip install global-chem-extensions
        
        ```
        Quick Start
        ===========
        
        Just with no dependencies, intialize the class and there you go! All the common and rare groups of the world
        at your disposal 
        
        #### Use the Sunbursting Extensions
        
        `dependencies`: `plotly`, `rdkit`, `kaleiodo`, `global-chem`
        
        ```python
        
        from global_chem_extensions.global_chem_extensions import GlobalChemExtensions
        
        test_set = [
            'c1[n+](cc2n(c1OCCc1cc(c(cc1)F)F)c(nn2)c1ccc(cc1)OC(F)F)[O-]',
            'c1nc(c2n(c1OCCc1cc(c(cc1)F)F)c(nn2)c1ccc(cc1)OC(F)F)Cl',
            'c1ncc2n(c1CCO)c(nn2)c1ccc(cc1)OC(F)F',
            'C1NCc2n(C1CCO)c(nn2)c1ccc(cc1)OC(F)F',
            'C1(CN(C1)c1cc(c(cc1)F)F)Oc1cncc2n1c(nn2)c1ccc(cc1)OC(F)F',
            'c1ncc2n(c1N1CCC(C1)c1ccccc1)c(nn2)c1ccc(cc1)OC(F)F',
        ]
        
        GlobalChemExtensions().sunburst_chemical_list(test_set, save_file=False)
        
        ```
        
        <p align="center">
          <img width="900" height="800" src="images/figure_1.png">
        </p>
        
Keywords: smiles molecules chemistry rdkit plotly
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Natural Language :: English
Classifier: License :: OSI Approved :: Mozilla Public License 2.0 (MPL 2.0)
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Description-Content-Type: text/markdown
