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    • Stickers

      Public
      Jupyter Notebook
      0000Updated Oct 10, 2025Oct 10, 2025
    • Python
      0000Updated Aug 20, 2025Aug 20, 2025
    • lj-openmm

      Public
      Lennard Jones simulation using OpenMM
      Jupyter Notebook
      0000Updated Feb 3, 2025Feb 3, 2025
    • Working examples of different types of molecular dynamics simulations that can be run using Gromacs patched with PLUMED
      Jupyter Notebook
      0100Updated Jan 8, 2025Jan 8, 2025
    • CALVADOS

      Public
      Python
      19000Updated Dec 19, 2024Dec 19, 2024
    • Jupyter Notebook
      0000Updated Mar 11, 2024Mar 11, 2024
    • ResDocs

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      HTML
      0000Updated Aug 29, 2023Aug 29, 2023
    • MasterMSM

      Public
      Python package for generating Markov state models
      Python
      71701Updated Jul 27, 2022Jul 27, 2022
    • Adaptive sampling implementation interacting with MasterMSM
      Python
      2300Updated Mar 24, 2022Mar 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
      Jupyter Notebook
      0000Updated Mar 21, 2022Mar 21, 2022