markovmodel / deeptime

Deep learning meets molecular dynamics.
GNU Lesser General Public License v3.0
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An API for the time-lagged autoencoder #6

Closed cwehmeyer closed 6 years ago

cwehmeyer commented 6 years ago

This PR provides a simple API to perform PCA-/TICA/AE-based dimension reductions with one function call. This variant is not very suitable for extensive benchmarks but makes the actual application as simple as possible.