Alternatives and similar repositories for cgenff_charmm2gmx:

Users that are interested in cgenff_charmm2gmx are comparing it to the libraries listed below

• MDplot / MDplot
  MDplot: Visualise Molecular Dynamics
  ☆27Updated 2 years ago
• mangeshdamre / Free-Energy-Landscape
  ☆12Updated 4 years ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆45Updated 4 months ago
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆43Updated 2 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated last year
• durrantlab / gypsum_dl
  Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3…
  ☆50Updated last month
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆67Updated 8 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆56Updated last month
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆48Updated last week
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆62Updated 5 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆17Updated 7 months ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated last year
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆80Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆55Updated 2 weeks ago
• Gervasiolab / OpenBPMD
  ☆55Updated last year
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆62Updated 2 years ago
• DweipayanG / GROMACS-Protein-Ligand
  ☆42Updated 2 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆15Updated this week
• huichenggong / Learning-Computation-with-Chenggong
  ☆39Updated 7 months ago
• sulfierry / free_energy_landscape
  The Free Energy Landscape Analysis tool offers a comprehensive suite for analyzing and visualizing the free energy landscape derived from…
  ☆19Updated 2 weeks ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆75Updated last year
• forlilab / cosolvkit
  CosolvKit is a versatile tool for cosolvent MD preparation and analysis
  ☆23Updated last month
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆110Updated 2 months ago
• maccallumlab / martini_openmm
  ☆52Updated last year
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆47Updated last year
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆66Updated last month
• protocaller / ProtoCaller
  Full automation of relative protein-ligand binding free energy calculations in GROMACS
  ☆44Updated 3 years ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆20Updated 5 years ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆42Updated 5 years ago