Welcome to spib’s documentation!¶
spib¶
State Predictive Information Bottleneck (SPIB)
Author: Dedi Wang
Free software: MIT license
Documentation: https://spib.readthedocs.io.
What is it?¶
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.
Installation¶
Stable release:¶
The preferred installation mechanism for spib is with pip:
$ pip install spib
From sources:¶
The sources for spib can be downloaded from the Github repo.
You can clone the public repository:
$ git clone git://github.com/wangdedi1997/spib
Once you have a copy of the source, you can install it with:
$ python setup.py install
Credits¶
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.