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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. StatMecSim StatMecSim Public

    Jupyter Notebook

Repositories

Showing 9 of 9 repositories
  • lj-openmm Public

    Lennard Jones simulation using OpenMM

    BioKT/lj-openmm’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 0 0 0 Updated Nov 22, 2024
  • StatMecSim Public
    BioKT/StatMecSim’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Nov 18, 2024
  • CALVADOS Public Forked from KULL-Centre/CALVADOS
    BioKT/CALVADOS’s past year of commit activity
    Python 0 GPL-3.0 5 0 0 Updated Oct 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
  • 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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