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@BioKT

BioKT

BioKimika Teorikoa Lab @ EHU-UPV

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  1. MasterMSM MasterMSM Public

    Python package for generating Markov state models

    Python 18 8

  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. ResDocs ResDocs Public

    HTML

  5. 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

  6. Calvados Calvados Public

    Python

Repositories

Showing 8 of 8 repositories
  • Calvados Public
    BioKT/Calvados’s past year of commit activity
    Python 0 CC-BY-4.0 0 0 0 Updated Apr 23, 2024
  • PLUMED-docs Public

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

    BioKT/PLUMED-docs’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Apr 9, 2024
  • rest2_tests Public
    BioKT/rest2_tests’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 11, 2024
  • StatMecSim Public
    BioKT/StatMecSim’s past year of commit activity
    HTML 0 0 0 0 Updated Jan 31, 2024
  • ResDocs Public
    BioKT/ResDocs’s past year of commit activity
    HTML 0 0 0 0 Updated Aug 29, 2023
  • MasterMSM Public

    Python package for generating Markov state models

    BioKT/MasterMSM’s past year of commit activity
    Python 18 GPL-2.0 8 0 1 Updated Jul 27, 2022
  • AdaptiveMasterMSM Public

    Adaptive sampling implementation interacting with MasterMSM

    BioKT/AdaptiveMasterMSM’s past year of commit activity
    Python 3 GPL-2.0 2 0 0 Updated Mar 24, 2022
  • hdbMSM Public

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

    BioKT/hdbMSM’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 21, 2022

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