Skip to content

A package to find collective variables of dynamical systems by training neural networks

License

Notifications You must be signed in to change notification settings

zwpku/colvars-finder

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

ColVars Finder

A package to find collective variables (CVs) of dynamical systems by training neural networks.

Two methods are implemented, by either training autoencoders or computing leading eigenfunctions of infinitesimal generator or transfer operator.

See Mathematical Backgrounds.

Installation

This package can be installed via pip:

pip install colvars-finder

Documentataion

Please refer to ColVars-Finder docs.

Releases

No releases published

Packages

No packages published

Languages