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@BioKT

BIOKT Group

BioKimika Teorikoa Group @ EHU + DIPC

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  1. MasterMSM MasterMSM Public

    Python package for generating Markov state models

    Python 17 7

  2. AdaptiveMasterMSM AdaptiveMasterMSM Public

    Adaptive sampling implementation interacting with MasterMSM

    Python 3 2

  3. PLUMED-docs PLUMED-docs Public

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

    Jupyter Notebook 1

  4. MartiniSurf MartiniSurf Public

    MartiniSurf: a package for the preparation of Martini simulations of immobilized proteins

    Python 1

  5. ResDocs ResDocs Public

    HTML

  6. hdbMSM hdbMSM Public

    Contains notebooks used to carry out all the calculations related to the paper Markov state models from hierarchical density based assignment

    Jupyter Notebook

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