Alternatives and similar repositories for VTX

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

• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆84Updated 2 months ago
• fmaschietto / mdigest
  ☆34Updated 11 months ago
• maccallumlab / martini_openmm
  ☆56Updated 2 years ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆87Updated 2 years ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆23Updated last year
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆63Updated this week
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆71Updated 8 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆107Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆70Updated 3 weeks ago
• KULL-Centre / CALVADOS
  ☆71Updated 3 months ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆62Updated 8 months ago
• aethertier / secstructartist
  A python module to plot secondary structure schemes
  ☆25Updated last year
• tiwarylab / alphafold2rave
  ☆70Updated last year
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆27Updated last week
• openmm / openmm_workshops
  ☆39Updated last year
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆65Updated last year
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆147Updated 2 weeks ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆62Updated 4 months ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆59Updated 10 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated 2 years ago
• pstansfeld / MemProtMD
  ☆45Updated 4 months ago
• CCPBioSim / qmmm-workshop
  A repository containing the build steps for the ccpbiosim workshop on QM/MM
  ☆67Updated this week
• RUBi-ZA / MD-TASK
  Tool suite for analysing molecular dynamics trajectories using network analysis and PRS
  ☆51Updated 3 months ago
• log-md / logmd
  ☆63Updated 5 months ago
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆39Updated 2 years ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆58Updated last month
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆72Updated 5 months ago
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆73Updated last week
• paulrobustelli / Force-Fields
  Force Fields
  ☆65Updated 8 months ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆35Updated last week