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/markovmodel/pystallone
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