Alternatives and similar repositories for msmhelper

Users that are interested in msmhelper are comparing it to the libraries listed below

• torchmd / torchmd-cg
  Example to fit parameters and run CG simulations using TorchMD and Schnet
  ☆48Updated 3 years ago
• torchmd / torchmd-protein-thermodynamics
  Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
  ☆90Updated 9 months ago
• markovmodel / mdshare
  Get access to our MD data files.
  ☆29Updated 2 years ago
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆55Updated last year
• markovmodel / pyemma-workshop
  ☆31Updated 3 years ago
• weitse-hsu / ensemble_md
  A python package for performing GROMACS simulation ensembles
  ☆17Updated 3 weeks ago
• marrink-lab / martini-forcefields
  Collection of interaction and molecule parameters for the Martini3 force-field
  ☆19Updated 2 years ago
• microsoft / timewarp
  Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.
  ☆56Updated last year
• luigibonati / deep-learning-slow-modes
  Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
  ☆21Updated last year
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆58Updated 10 months ago
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆132Updated this week
• graeter-group / grappa
  A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM
  ☆55Updated last week
• gpantel / MD_methods-and-analysis
  Repository for MD methods and analysis from submitted or published work
  ☆19Updated 2 years ago
• mqcomplab / MDANCE
  MDANCE is a flexible n-ary clustering package for all applications.
  ☆94Updated 2 weeks ago
• ghorbanimahdi73 / GraphVampNet
  ☆15Updated 3 years ago
• jhenin / Methods-for-enhanced-sampling-and-free-energy-calculations
  Enhanced sampling methods for molecular dynamics simulations
  ☆41Updated 2 years ago
• Degiacomi-Lab / molearn
  protein conformational spaces meet machine learning
  ☆47Updated last week
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆42Updated 3 years ago
• owenvickery / cg2at
  Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
  ☆32Updated last year
• TinkerTools / poltype2
  Poltype 2: Automated Parameterization for AMOEBA
  ☆51Updated last week
• bytedance / OpenMM-Python-Force
  Run OpenMM with forces provided by any Python program
  ☆37Updated 10 months ago
• andrrizzi / tfep-revisited-2021
  Source code and input files associated to the paper "Targeted free energy perturbation revisited: Accurate free energies from mapped refe…
  ☆13Updated 4 years ago
• MDAnalysis / membrane-curvature
  MDAnalysis tool to calculate membrane curvature.
  ☆34Updated 3 months ago
• openmm / openmm-cookbook
  The OpenMM Cookbook and Tutorials
  ☆52Updated 3 weeks ago
• GMPavanLab / Swarm-CG
  Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…
  ☆45Updated last year
• mme-ucl / MFI
  ☆13Updated 4 months ago
• noegroup / reform
  A simple implementation of replica exchange MD simulations for OpenMM.
  ☆24Updated 4 years ago
• ASK-Berkeley / OM-TPS
  [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…
  ☆22Updated last week
• ochsenfeld-lab / adaptive_sampling
  Adaptive sampling algorithms for molecular transitions
  ☆23Updated last week
• coarse-graining / cgnet
  learning coarse-grained force fields
  ☆64Updated 3 years ago