Metadata-Version: 2.1
Name: metabolinks
Version: 0.61
Summary: A set of tools for high-resolution MS metabolomics data analysis
Home-page: https://github.com/aeferreira/metabolinks
Author: António Ferreira
Author-email: aeferreira@fc.ul.pt
Maintainer: António Ferreira
Maintainer-email: aeferreira@fc.ul.pt
License: MIT
Download-URL: https://github.com/aeferreira/metabolinks
Keywords: Metabolomics,Mass Spectrometry,Data Analysis,Ultra-high resolution MS
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Education
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
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 :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Requires-Dist: six
Requires-Dist: requests
Requires-Dist: numpy
Requires-Dist: pandas (>=0.25)
Requires-Dist: xlrd
Requires-Dist: xlsxwriter
Requires-Dist: pandas-flavor
Requires-Dist: pytest
Requires-Dist: matplotlib (>=2.0)


***********
Metabolinks
***********

``Metabolinks`` is a Python package that provides a set of tools for high-resolution
MS metabolomics data analysis.

Metabolinks aims at providing several tools that streamline most of
the metabolomics workflow. These tools were written having ultra-high
resolution MS based metabolomics in mind.

Features are a bit scarce right now:

- peak list alignment
- data matrix preprocessing, and similarity measures
- compound taxonomy retrieval

But our road map is clear and we expect to stabilize in a beta version pretty soon.

Stay tuned, and check out the examples folder (examples are provided as
jupyter notebooks).

Installing
==========

``Metabolinks`` is distributed on PyPI_ and can be installed with pip on
a Python 3.6+ installation::

   pip install metabolinks

.. _PyPI: https://pypi.org/project/metabolinks


However, even if ``Metabolinks`` is written in Python, it requires some of the powerful scientific
packages that are pre-installed on "Scientific/Data Science Python" distributions.

One of these two products is highly recommended:

- `Anaconda <https://store.continuum.io/cshop/anaconda/>`_ (or `Miniconda <http://conda.pydata.org/miniconda.html>`_ followed by the necessary ``conda install``'s)
- `Enthought Canopy <https://www.enthought.com/products/canopy/>`_

The formal requirements are:

- Python 3.6 and above
- ``setuptools``, ``pip``, ``six``, ``requests`` and ``pytest``
- ``numpy``, ``scipy``, ``matplotlib``, ``pandas`` and ``scikit-learn``

The installation of the ``Jupyter`` platform is also recommended since
the examples are provided as *Jupyter notebooks*.



