metabolinks

A set of tools for high-resolution MS metabolomics data analysis

https://github.com/aeferreira/metabolinks

Science Score: 67.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
    Found CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
    Found 3 DOI reference(s) in README
  • Academic publication links
    Links to: zenodo.org
  • Committers with academic emails
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (12.6%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

A set of tools for high-resolution MS metabolomics data analysis

Basic Info
  • Host: GitHub
  • Owner: aeferreira
  • License: mit
  • Language: Python
  • Default Branch: master
  • Size: 1.36 MB
Statistics
  • Stars: 2
  • Watchers: 3
  • Forks: 3
  • Open Issues: 1
  • Releases: 1
Created over 8 years ago · Last pushed over 2 years ago
Metadata Files
Readme License Citation Authors

README.rst

***********
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
- common metabolomics data-matrix preprocessing, based on ``pandas`` and ``scikit-learn``
- 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).

.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.5336951.svg
   :target: https://doi.org/10.5281/zenodo.5336951

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, it is recommended to install the the scientific Python packages that are
required by ``Metabolinks`` before using ``pip``. These are listed below, but they
can be easily obtained by installing one of the "Scientific/Data Science Python" distributions.
One of these two products is highly recommended:

- `Anaconda Individual Edition `_ (or `Miniconda `_ followed by the necessary ``conda install``'s)
- `Enthought Deployment Manager `_ (followed by the creation of suitable Python environments)

The formal requirements are:

- Python 3.6 and above
- ``setuptools``, ``pip``, ``requests``, ``six``, ``pandas-flavor`` and ``pytest``

and, from the Python scientific ecossystem:

- ``numpy``, ``scipy``, ``matplotlib``, ``pandas`` and ``scikit-learn``

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

Owner

  • Name: António E. N. Ferreira
  • Login: aeferreira
  • Kind: user
  • Location: Lisbon, Portugal

Citation (CITATION.cff)

cff-version: 1.2.0
message: If you use this software, please cite it using these metadata.
title: metabolinks
abstract: a Python package for high-resolution-MS metabolomics data analysis.
authors:
- given-names: António
  family-names: Ferreira
  name-particle: E.N.
  affiliation: University of Lisbon, Portugal
  orcid: "https://orcid.org/0000-0002-9625-8115"
- given-names: Francisco
  family-names: Traquete
  affiliation: University of Lisbon, Portugal
  orcid: "https://orcid.org/0000-0002-4081-6544"
version: 0.71
date-released: "2021-08-30"
identifiers:
  - description: This is the collection of archived snapshots of all versions of Metabolinks
    type: doi
    value: "10.5281/zenodo.5336950"
  - description: This is the archived snapshot of version 0.71 of Metabolinks
    type: doi
    value: "10.5281/zenodo.5336951"
repository-code: "https://github.com/aeferreira/metabolinks"
license: MIT

GitHub Events

Total
Last Year

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 189
  • Total Committers: 7
  • Avg Commits per committer: 27.0
  • Development Distribution Score (DDS): 0.132
Past Year
  • Commits: 6
  • Committers: 1
  • Avg Commits per committer: 6.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
aeferreira f****e@g****m 164
RuiNascimento r****3@h****m 12
Beatriz Lima b****l@h****m 4
gilpires97 g****7@g****m 3
Beatriz Lima 4****a 3
Francisco-T f****t@g****m 2
aeferreira a****a 1

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 0
  • Total pull requests: 3
  • Average time to close issues: N/A
  • Average time to close pull requests: about 1 month
  • Total issue authors: 0
  • Total pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.0
  • Merged pull requests: 2
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
Pull Request Authors
  • beatriz-lima (3)
Top Labels
Issue Labels
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 28 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 1
  • Total versions: 5
  • Total maintainers: 1
pypi.org: metabolinks

A set of tools for high-resolution MS metabolomics data analysis

  • Versions: 5
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 28 Last month
Rankings
Dependent packages count: 10.0%
Forks count: 16.8%
Dependent repos count: 21.7%
Average: 30.0%
Stargazers count: 31.9%
Downloads: 69.5%
Maintainers (1)
Last synced: 6 months ago

Dependencies

binder/environment.yml pypi
pyproject.toml pypi
  • matplotlib >=2.0
  • numpy *
  • pandas >=0.25
  • pandas-flavor *
  • requests *
  • scikit-learn >=1.0
  • scipy *
  • xlrd *
  • xlsxwriter *