Find collective variables (CVs) by training neural networks.
Project description
ColVars Finder
Find collective variables (CVs) of molecular systems by training neural networks.
Two methods are implemented by either training autoencoder or computing eigenfunctions.
This package is under development.
Installation
This package can be installed via pip:
pip install colvars-finderDocumentataion
Please refer to ColVars-Finder docs.
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