Skip to main content

Uncertainty analysis and model comparison for atomistic molecular dynamics.

Project description

kinisi Logo

Pronunciation: kee-nee-si

Test Coverage Documentation Status PyPI version

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 clone this repository and install the latest development build with the commands below.

pip install -r requirements.txt
pip install .
pytest

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

kinisi-0.3.6.tar.gz (1.4 MB view hashes)

Uploaded Source

Built Distribution

kinisi-0.3.6-py3-none-any.whl (1.4 MB view hashes)

Uploaded Python 3

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page