Repositories list

• lj-openmm

  Public
  Lennard Jones simulation using OpenMM

  Jupyter Notebook

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Jan 31, 2025Jan 31, 2025

• PLUMED-docs

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

  Jupyter Notebook

  •0•1•0•0•Updated Jan 8, 2025Jan 8, 2025

• CALVADOS

  Public
  Python

  •

  GNU General Public License v3.0

  •4•0•0•0•Updated Dec 19, 2024Dec 19, 2024

• rest2_tests

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Mar 11, 2024Mar 11, 2024

• ResDocs

  Public
  HTML

  •0•0•0•0•Updated Aug 29, 2023Aug 29, 2023

• MasterMSM

  Public
  Python package for generating Markov state models

  molecular-dynamicsmarkov-state-modelprotein-folding

  Python

  •

  GNU General Public License v2.0

  •8•18•0•1•Updated Jul 27, 2022Jul 27, 2022

• AdaptiveMasterMSM

  Public
  Adaptive sampling implementation interacting with MasterMSM

  Python

  •

  GNU General Public License v2.0

  •2•3•0•0•Updated 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

  •0•0•0•0•Updated Mar 21, 2022Mar 21, 2022