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Python binding for Stallone java library

Project description

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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: http://github.com/markovmodel/pystallone

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