Find collective variables (CVs) by training neural networks.

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License: MIT License

Author: Wei Zhang

Requires: Python >=3.7

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Project description

ColVars Finder

Find collective variables (CVs) of dynamical systems by training neural networks.

Two methods are implemented by either training autoencoder or computing eigenfunctions.

See Mathematical Backgrounds.

This package is under development.

Installation

This package can be installed via pip:

pip install colvars-finder

Documentataion

Please refer to ColVars-Finder docs.

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License: MIT License

Author: Wei Zhang

Requires: Python >=3.7

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0.1.14

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