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.

Credits

This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.