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setup.py
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setup.py
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from setuptools import setup, find_packages
setup(name='nPYc',
version='2.0',
description='National Phenome Centre toolbox',
url='https://github.com/phenomecentre/npyc-toolbox',
author='National Phenome Centre',
author_email='[email protected]',
license='MIT',
packages=find_packages(),
install_requires=[
'cycler>=0.10.0',
'iPython>=6.3.1',
#'isaExplorer>=0.1',
#'isatools>=0.9.3',
'Jinja2>=3.0.1',
'lmfit>=0.9.7',
#'markupsafe==2.0.1',
'matplotlib==3.5.2',
'networkx>=2.5.1',
#'numpy>=1.14.2',
#'pandas>=0.23.0',
'numpy~=1.23.3',
'openpyxl',
#'jsonschema~=3.2.0',
'pandas~=1.5.0',
'plotly>=3.1.0',
'pyChemometrics>=0.1',
'scikit-learn>=0.19.1',
'scipy>=1.1.0',
'seaborn>=0.8.1',
'setuptools>=39.1.0',
'statsmodels>=0.9.0'
],
classifiers = [
"Programming Language :: Python",
"Programming Language :: Python :: 3.9",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Topic :: Scientific/Engineering :: Bio-Informatics",
],
long_description = """\
Toolbox for preprocessing of metabolic profiling datasets
---------------------------------------------------------
.. image:: https://travis-ci.org/phenomecentre/nPYc-Toolbox.svg?branch=master
:target: https://travis-ci.org/phenomecentre/nPYc-Toolbox
:alt: Travis CI build status
.. image:: https://readthedocs.org/projects/npyc-toolbox/badge/?version=latest
:target: http://npyc-toolbox.readthedocs.io/en/latest/?badge=latest
:alt: Documentation Status
.. image:: https://codecov.io/gh/phenomecentre/nPYc-Toolbox/branch/master/graph/badge.svg
:target: https://codecov.io/gh/phenomecentre/nPYc-Toolbox
:alt: Test coverage
|
The nPYc toolbox offers functions for the import, preprocessing, and QC of metabolic profiling datasets.
Documentation can be found on `Read the Docs <http://npyc-toolbox.readthedocs.io/en/latest/?badge=latest>`_.
Imports
- Peak-picked LC-MS data (XCMS, Progenesis QI, *&* Metaboscape)
- Raw NMR spectra (Bruker format)
- Targeted datasets (TargetLynx, Bruker BI-LISA, *&* BI-Quant-Ur)
Provides
- Batch *&* drift correction for LC-MS datasets
- Feature filtering by RSD *&* linearity of response
- Calculation of spectral line-width in NMR
- PCA of datasets
- Visualisation of datasets
Exports
- Basic tabular csv
- `ISA-TAB <http://isa-tools.org>`_
The nPYc toolbox is `developed <https://github.com/phenomecentre/npyc-toolbox>`_ by the informatics team at `The National Phenome Centre <http://phenomecentre.org/>`_ at `Imperial College London <http://imperial.ac.uk/>`_.
""",
long_description_content_type="text/markdown",
documentation='http://npyc-toolbox.readthedocs.io/en/latest/?badge=stable',
include_package_data=True,
zip_safe=False
)