Alternatives and similar repositories for openmm-setup

Users that are interested in openmm-setup are comparing it to the libraries listed below

• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated last week
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆86Updated 3 months ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆61Updated 11 months ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆69Updated 8 months ago
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated 3 months ago
• maccallumlab / martini_openmm
  ☆56Updated 2 years ago
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆61Updated last year
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆130Updated last month
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆63Updated 9 months ago
• paulrobustelli / Force-Fields
  Force Fields
  ☆66Updated 9 months ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆58Updated 9 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆82Updated 6 months ago
• callumjd / AMBER-Membrane_protein_tutorial
  Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen
  ☆68Updated 2 years ago
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆127Updated last week
• ADicksonLab / wepy
  Weighted Ensemble simulation framework in Python
  ☆58Updated 2 weeks ago
• KULL-Centre / CALVADOS
  ☆74Updated last week
• CCPBioSim / qmmm-workshop
  A repository containing the build steps for the ccpbiosim workshop on QM/MM
  ☆67Updated 2 weeks ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆67Updated 2 years ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆59Updated last week
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆71Updated 3 weeks ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆160Updated 2 months ago
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆67Updated last year
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆78Updated 3 weeks ago
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆141Updated last week
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆39Updated last year
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆109Updated last year
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆65Updated 3 months ago
• owenvickery / cg2at
  Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
  ☆32Updated last year
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆79Updated 2 years ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆90Updated 2 years ago