Alternatives and similar repositories for msmhelper

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

• torchmd / torchmd-protein-thermodynamics
  Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
  ☆89Updated 7 months ago
• torchmd / torchmd-cg
  Example to fit parameters and run CG simulations using TorchMD and Schnet
  ☆47Updated 3 years ago
• bytedance / OpenMM-Python-Force
  Run OpenMM with forces provided by any Python program
  ☆37Updated 8 months ago
• graeter-group / grappa
  A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM
  ☆53Updated 3 months ago
• markovmodel / ivampnets
  ☆25Updated 2 years ago
• weitse-hsu / ensemble_md
  A python package for performing GROMACS simulation ensembles
  ☆16Updated 4 months ago
• mqcomplab / MDANCE
  MDANCE is a flexible n-ary clustering package for all applications.
  ☆70Updated last week
• microsoft / timewarp
  Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.
  ☆56Updated last year
• craabreu / ufedmm
  Unified Free Energy Dynamics (UFED) simulations with OpenMM
  ☆35Updated 3 weeks ago
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆124Updated last week
• MDAnalysis / membrane-curvature
  MDAnalysis tool to calculate membrane curvature.
  ☆32Updated last month
• owenvickery / cg2at
  Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
  ☆32Updated last year
• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆50Updated this week
• markovmodel / pyemma-workshop
  ☆31Updated 3 years ago
• ghorbanimahdi73 / GraphVampNet
  ☆15Updated 3 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…
  ☆53Updated last year
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆73Updated last month
• Degiacomi-Lab / molearn
  protein conformational spaces meet machine learning
  ☆47Updated 2 months ago
• markovmodel / mdshare
  Get access to our MD data files.
  ☆29Updated last year
• DingGroup / BayesMBAR
  Bayesian Multistate Bennett Acceptance Ratio Method
  ☆15Updated last month
• KULL-Centre / CALVADOS
  ☆71Updated 3 months ago
• marrink-lab / martini-forcefields
  Collection of interaction and molecule parameters for the Martini3 force-field
  ☆18Updated 2 years ago
• luigibonati / deep-learning-slow-modes
  Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
  ☆21Updated last year
• noegroup / reform
  A simple implementation of replica exchange MD simulations for OpenMM.
  ☆23Updated 4 years ago
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆41Updated 3 years ago
• moldyn / MoSAIC
  Correlation-based feature selection of Molecular Dynamics simulations
  ☆29Updated last week
• tiwarylab / RAVE
  Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)
  ☆44Updated 5 years ago
• IBM / trajcast
  TrajCast: Force-Free MD Through Autoregressive Equivariant Networks
  ☆55Updated 4 months ago
• coarse-graining / cgnet
  learning coarse-grained force fields
  ☆63Updated 3 years ago
• moldyn / dcTMD
  Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.
  ☆15Updated 4 months ago