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Python binding for Stallone java library

Project description

This package is a Python binding for the Stallone Java library, which is an effort to combine multiple tools for building Markov models from molecular trajectory data.

It provides a high level API for:

  • wrapping data (trajectories, math structures)

  • (linear) algebra

  • discretize MD trajectories

  • perform coordinate transformations

  • multiple methods for estimate Markov models

  • generate trajectories from potential

  • free energy estimation

For more information have a look at the current Stallone website:

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pystallone-1.0.0b7.tar.gz (3.1 MB view hashes)

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