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http://lewisamarshall.github.io/ionize/

A Python package for calculating buffer properties.
http://lewisamarshall.github.io/ionize/

Last synced: about 1 month ago
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A Python package for calculating buffer properties.

Host: GitHub
URL: http://lewisamarshall.github.io/ionize/
Owner: lewisamarshall
License: gpl-2.0
Created: 2014-05-27T16:40:17.000Z (about 10 years ago)
Default Branch: master
Last Pushed: 2020-10-31T20:15:22.000Z (over 3 years ago)
Last Synced: 2024-05-14T10:45:44.074Z (about 1 month ago)
Language: Jupyter Notebook
Homepage: http://lewisamarshall.github.io/ionize/
Size: 4.59 MB
Stars: 8
Watchers: 2
Forks: 5
Open Issues: 5
Metadata Files:
- Readme: README.md
- License: LICENSE

Lists

awesome-python-chemistry - ionize - Calculates the properties of individual ionic species in aqueous solution, as well as aqueous solutions containing arbitrary sets of ions. (General Chemistry)
awesome-python-chemistry - ionize - Calculates the properties of individual ionic species in aqueous solution, as well as aqueous solutions containing arbitrary sets of ions. (General Chemistry)
awesome_awesome_chemoinformatics - ionize - Calculates the properties of individual ionic species in aqueous solution, as well as aqueous solutions containing arbitrary sets of ions. (General Chemistry / Packages and tools for general chemistry.)

README

        ionize

=====

[![Code Climate](https://codeclimate.com/github/lewisamarshall/ionize/badges/gpa.svg)](https://codeclimate.com/github/lewisamarshall/ionize) [![Build Status](https://travis-ci.org/lewisamarshall/ionize.svg?branch=master)](https://travis-ci.org/lewisamarshall/ionize)  [![Coverage Status](https://coveralls.io/repos/lewisamarshall/ionize/badge.svg?branch=master&service=github)](https://coveralls.io/github/lewisamarshall/ionize?branch=master) [![Docs Status](https://readthedocs.org/projects/ionize/badge/?version=latest)](https://ionize.readthedocs.org)

**ionize** is a Python package for calculating the properties of ions and

electrolytes. Originally designed with electrophoresis in mind,

these calculations can help any time the pH or electrical properties of an

aqueous solution impact system performance.

The goal of **ionize** is to make full simulations of electrolyte properties

easy, ubiquitous, and accurate. The **ionize** models consider the impact of pH,

ionic strength, temperature, and the interactions between different ions.

Considering all of these impacts makes ionize accurate over the widest

available range of operating conditions. In addition, **ionize** includes

warnings when experimental conditions are outside the range of model

assumptions.

Installation

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

One-line install using [pip](https://pypi.python.org/pypi/pip):

    pip install ionize

Alternatively, if you're installing from source:

- Clone the repository, and `cd` into the `ionize` directory.

- Install the dependencies with `pip3 install -r requirements.txt`

- Install `ionize` using `python3 setup.py install`

Tutorial

--------

Want to use **ionize**? Read the [tutorial][tutorial].

Examples

--------

Want to see some examples of **ionize** in action? Take a look at the

[examples][examples].

[peakmaster]: http://web.natur.cuni.cz/gas/ "Peakmaster"

[Spresso]: http://stanfordspresso.blogspot.com/ "Spresso"

[STEEP]: http://microfluidics.stanford.edu/download/ "STEEP"

[tutorial]: ./tutorial.ipynb  "ionize Tutorial"

[examples]: ./examples.ipynb  "ionize Examples"