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This repository contains code for generating the figures in the manuscript Earthmover-Based Manifold Learning for Analyzing Molecular Conformation Spaces by Nathan Zelesko, Amit Moscovich, Joe Kileel, and Amit Singer.

If you have the prerequsities, you can simply run './' to generate the figures in the paper. This will take a few hours.


  • Python 3 with SciPy and scikit-learn. I recommend the Anaconda python distribution.
  • The PyWavelets package (included in Anaconda)
  • The mrcfile Python module, to install it run pip install mrcfile.

For any questions, email or

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