semvec/pypi-packages huggingface dataset:
spib 1.1.0
SPIB is a deep learning-based framework that learns the reaction coordinates from high dimensional molecular simulation trajectories.
License: MIT license
Requires Python: >=3.6
Keywords: spib

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spib
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.. image:: https://img.shields.io/pypi/v/spib.svg
        :target: https://pypi.python.org/pypi/spib

.. image:: https://img.shields.io/travis/wangdedi1997/spib.svg
        :target: https://travis-ci.com/wangdedi1997/spib

.. image:: https://readthedocs.org/projects/spib/badge/?version=latest
        :target: https://spib.readthedocs.io/en/latest/?version=latest
        :alt: Documentation Status



State Predictive Information Bottleneck (SPIB)

* Author: Dedi Wang
* Free software: MIT license
* Documentation: https://spib.readthedocs.io.


What is it?
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SPIB is a deep learning-based framework for dimension reduction and Markov model construction of MD trajectories. Please read and cite this manuscript when using SPIB: https://aip.scitation.org/doi/abs/10.1063/5.0038198. Here is an implementation of SPIB in Pytorch.


Credits
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This package was created with Cookiecutter_ and the `audreyr/cookiecutter-pypackage`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage


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History
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1.1.0 (2023-12-14)
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* Complete rewrite of everything allowing more robust dimension reduction and Markov model construction of MD trajectories.

0.1.0 (2023-01-13)
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* First release on PyPI.