https://github.com/hydrationdynamics/svante

Configurable Arrhenius plots with fits, uncertainties, and ratios
https://github.com/hydrationdynamics/svante

arrhenius chemistry enthalpy entrop fits plots rates

Last synced: 5 months ago
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Configurable Arrhenius plots with fits, uncertainties, and ratios

• Host: GitHub
• URL: https://github.com/hydrationdynamics/svante
• Owner: hydrationdynamics
• License: other
• Created: 2021-04-15T17:02:59.000Z (about 5 years ago)
• Default Branch: main
• Last Pushed: 2024-12-01T06:20:04.000Z (over 1 year ago)
• Last Synced: 2025-07-28T10:38:16.944Z (11 months ago)
• Topics: arrhenius, chemistry, enthalpy, entrop, fits, plots, rates
• Language: Python
• Homepage:
• Size: 583 KB
• Stars: 1
• Watchers: 1
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE.rst
  • Code of conduct: CODE_OF_CONDUCT.rst

Awesome Lists containing this project

README

          
=======================

Svante: Arrhenius Plots

=======================

.. badges-begin

| |PyPi| |Python Version| |Repo| |Downloads| |Dlrate|

| |License| |Tests| |Coverage| |Codacy| |Issues| |Health|

.. |PyPI| image:: https://img.shields.io/pypi/v/svante.svg

   :target: https://pypi.org/project/svante/

   :alt: PyPI package

.. |Python Version| image:: https://img.shields.io/pypi/pyversions/svante

   :target: https://pypi.org/project/svante

   :alt: Supported Python Versions

.. |Repo| image:: https://img.shields.io/github/last-commit/hydrationdynamics/svante

    :target: https://github.com/hydrationdynamics/svante

    :alt: GitHub repository

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     :target: https://pepy.tech/project/svante

     :alt: Download stats

.. |Dlrate| image:: https://img.shields.io/pypi/dm/svante

   :target: https://github.com/hydrationdynamics/svante

   :alt: PYPI download rate

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   :target: https://github.com/hydrationdynamics/svante/actions?workflow=Tests

   :alt: Tests

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    :target: https://codecov.io/gh/hydrationdynamics/svante

    :alt: Codecov.io test coverage

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.. |Issues| image:: https://img.shields.io/github/issues/hydrationdynamics/svante.svg

    :target:  https://github.com/hydrationdynamics/svante/issues

    :alt: Issues reported

.. |Read the Docs| image:: https://img.shields.io/readthedocs/svante/latest.svg?label=Read%20the%20Docs

   :target: https://svante.readthedocs.io/

   :alt: Read the documentation at https://svante.readthedocs.io/

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  :alt: Snyk health

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   :alt: Fly Svante logo

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   :target: https://codecov.io/gh/hydrationdynamics/svante

   :alt: Codecov

Features

--------

* Combines rates from multiple input `TSV files`_ using `pandas`_

* Handles `uncertainties`_ in rates and temperatures

* Creates `Arrhenius plots`_ using `Matplotlib`_

* Fits activation enthalpies and prefactors to rates

* Optionally, plots ratios of two rates

Requirements

------------

* Tested on the latest and earliest supported python on Linux and the latest

  python on MacOS.

Installation

------------

You can install *Svante* via pip_ from PyPI_:

.. code:: console

   $ pip install svante

Usage

-----

Please see the `Command-line Reference `_ for details.

Contributing

------------

Contributions are very welcome.

To learn more, see the `Contributor Guide`_.

License

-------

Distributed under the terms of the `BSD 3-Clause license`_,

*Svante* is free and open source software.

Issues

------

If you encounter any problems,

please `file an issue`_ along with a detailed description.

Credits

-------

Svante was written by Joel Berendzen.

.. _TSV files: https://en.wikipedia.org/wiki/Tab-separated_values

.. _pandas: https://pandas.pydata.org/

.. _uncertainties: https://uncertainties-python-package.readthedocs.io/en/latest/user_guide.html

.. _Arrhenius plots: https://en.wikipedia.org/wiki/Arrhenius_plot

.. _Matplotlib: https://matplotlib.org/

.. _BSD 3-Clause license: https://opensource.org/licenses/BSD-3-Clause

.. _PyPI: https://pypi.org/

.. _file an issue: https://github.com/joelb123/svante/issues

.. _pip: https://pip.pypa.io/

.. github-only

.. _Contributor Guide: CONTRIBUTING.rst

.. _Usage: https://svante.readthedocs.io/en/latest/usage.html