Alternatives and similar repositories for force_fields

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

• maccallumlab / martini_openmm
  ☆62Updated last month
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆72Updated last week
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆91Updated 6 months ago
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆40Updated 2 years ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆68Updated last year
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆82Updated 2 years ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆82Updated 2 years ago
• paulrobustelli / Force-Fields
  Force Fields
  ☆67Updated last year
• msmbuilder / msmbuilder2022
  Statistical models for biomolecular dynamics
  ☆42Updated 8 months ago
• maccallumlab / meld
  Modeling with limited data
  ☆60Updated last month
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆66Updated last year
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆74Updated 3 weeks ago
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆76Updated 3 months ago
• fmaschietto / mdigest
  ☆34Updated last year
• CCPBioSim / qmmm-workshop
  A repository containing the build steps for the ccpbiosim workshop on QM/MM
  ☆68Updated last week
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆91Updated 2 years ago
• POVME / POVME3
  A pocket volume analyzer for use in protein modeling.
  ☆59Updated 3 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆31Updated this week
• Gervasiolab / OpenBPMD
  ☆69Updated 2 years ago
• tiwarylab / alphafold2rave
  ☆70Updated last year
• MCompChem / fep-benchmark
  Benchmark set for relative free energy calculations.
  ☆119Updated last year
• MiaoLab20 / pyreweighting
  ☆32Updated 2 years ago
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆137Updated 2 weeks ago
• NNairIITK / Enhanced_Sampling_Methods_Tutorials
  Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
  ☆49Updated 4 years ago
• RUBi-ZA / MD-TASK
  Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
  ☆53Updated 8 months ago
• freeenergylab / FEP-SPell-ABFE
  FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
  ☆80Updated last year
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆67Updated 2 years ago
• qusers / qligfep
  ☆67Updated last week
• essex-lab / grand
  A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
  ☆74Updated 2 years ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆167Updated last week