kinisi is an open-source package focussed on accurately quantifying the uncertainty in atomic and molecular displacements, and using this to more completely understand diffusion in materials.
Installation
kinisi is available from the PyPI repository so can be installed using pip or alternatively clonethis repository and install the latest development build with the commands below.
pip install .
Contributing
If you would like to contribute to kinisi, have a look at the CONTRIBUTING.md that outlines the different ways to help out.
FAQs
Efficient estimation of diffusion processes from molecular dynamics.
We found that kinisi demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago.It has 2 open source maintainers collaborating on the project.
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