What is PyUnitWizard?#

PyUnitWizard -Python Units Wizard- is an open-source Python library designed to facilitate work with physical quantities in scientific libraries and workflows.

There are several Python libraries to work with physical quantities in the market. Pint, unyt or openmm.unit, are just some of them. Imagine that your project, or workflow, requires the interaction with more than one of these tools. Or that you are not sure if you will work with a different quantities library in the future. Are you looking for a unique API to work with different quantities libraries? Wouldn’t it be a relief? PyUnitWizard just do that. It is the wizard you need in your code to change the form of yo ur quantities with few effort. With PyUnitWizard you can:

  • Convert physical quantities and units between the different native objects from a set of :ref:supported libraries<libraries-supported>.

  • Work with physical quantities with a simple syntaxis no matter the library you chose to do the hard work in the background.

  • Integrate a quantities wizard in your library defining the default library and the standard units in you project.

Have a look to the quick guide <https://uibcdf.org/pyunitwizard/Quick_Guide.html>_ to see some examples of PyUnitWizard in action.

This library was developed to provide a user-friendly interface for computational molecular biology labs, such as the UIBCDF, to use in their research. With PyUnitWizard, you can streamline the integration of workflows involving molecular models and molecular dynamics trajectories.

To be written…

PyUnitWizard is an open-source project shared under the MIT license. This means that you have the right to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies without any limitations.

If you have suggestions, improvements, enhancement proposals, if you miss a functionality, or you have identified a bug or a malfunction, feel free to contribute to its development or interact with the authors and contributors by using the MolSysMT public GitHub repository.

When using PyUnitWizard, it is important to understand that the authors and contributors do not provide any legal warranty or assume any liability of any kind regarding its use and results.

We hope you find it useful!

Diego Prada-Gracia and Liliana M. Moreno Vargas.



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