Metadata-Version: 2.1
Name: SpectraFP
Version: 1.0.0
Summary: A package to perform fingerprints from spectroscopy datas.
Home-page: https://github.com/jeffrichardchemistry/SpectraFP
Author: Jefferson Richard
Author-email: jrichardquimica@gmail.com
License: GNU GPL
Description: [![DOI](https://zenodo.org/badge/363234585.svg)](https://zenodo.org/badge/latestdoi/363234585)
        
        
        # SpectraFP
        SpectraFP is a package to perform fingerprints from spectroscopy datas. The goal is to transform a list of spectroscopy signals - such as nmr and infrared - into a binary vector of zeros and ones. One means that there is a sign and zero absence.
        
        ## Install
        <b>Via github</b>
        ```
        git clone https://github.com/jeffrichardchemistry/SpectraFP
        cd SpectraFP
        python3 setup.py install
        ```
        
Keywords: Cheminformatics,Chemistry,QSAR,QSPR,Fingerprint,Spectroscopy
Platform: UNKNOWN
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX :: Linux
Classifier: Environment :: MacOS X
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Description-Content-Type: text/markdown
