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BioKT/PLUMED-docs

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Jupyter Notebook
Created almost 2 years ago
Updated 8 months ago

BioKT/PLUMED-docs

BioKT

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Working examples of different types of molecular dynamics simulations that can be run using Gromacs patched with PLUMED

MasterMSM

Python package for generating Markov state models

AdaptiveMasterMSM

Adaptive sampling implementation interacting with MasterMSM