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
  ☆59Updated 3 weeks ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆89Updated 5 months ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆65Updated last year
• CCPBioSim / qmmm-workshop
  A repository containing the build steps for the ccpbiosim workshop on QM/MM
  ☆68Updated last week
• 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
• paulrobustelli / Force-Fields
  Force Fields
  ☆66Updated 11 months ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆73Updated last month
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆91Updated 2 years ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆164Updated 4 months ago
• tiwarylab / alphafold2rave
  ☆69Updated last year
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆135Updated 3 weeks ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆130Updated 3 weeks ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆75Updated 2 years ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆82Updated 2 years ago
• tubiana / TTClust
  clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
  ☆123Updated last year
• MCompChem / fep-benchmark
  Benchmark set for relative free energy calculations.
  ☆117Updated last year
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆63Updated last year
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated 2 weeks ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆67Updated 4 years ago
• fmaschietto / mdigest
  ☆34Updated last year
• melomcr / dynetan
  Python implementation of Dynamical Network Analysis
  ☆16Updated 4 months ago
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆76Updated 2 months ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆66Updated 11 months ago
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆39Updated 2 years ago
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆73Updated last year
• essex-lab / grand
  A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
  ☆72Updated 2 years ago
• Gervasiolab / OpenBPMD
  ☆68Updated 2 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆30Updated last month
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆134Updated 2 years ago
• msmbuilder / msmbuilder2022
  Statistical models for biomolecular dynamics
  ☆40Updated 7 months ago