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: http://github.com/cmb-fu/stallone
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