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larsbratholm / ddr

Dynamics dimensionality reduction

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ddr

Dynamics dimensionality reduction

Requires (pip install)

numpy

scikit-learn

mdtraj

msmbuilder

git+git@github.com:larsbratholm/qml.git@sklearn_interface

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Dynamics dimensionality reduction

License:MIT License

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Language:Jupyter Notebook 98.1%Language:Python 1.9%