Alternatives and similar repositories for VTX:

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

• maccallumlab / martini_openmm
  ☆53Updated last year
• KULL-Centre / CALVADOS
  ☆50Updated this week
• fmaschietto / mdigest
  ☆30Updated 5 months ago
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆40Updated last year
• aethertier / secstructartist
  A python module to plot secondary structure schemes
  ☆25Updated last year
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆18Updated 8 months ago
• openmm / openmm_workshops
  ☆33Updated 6 months ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆78Updated 9 months ago
• pdynamo / pDynamo3
  The pDynamo molecular modeling and simulation program
  ☆36Updated last month
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆56Updated last month
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆64Updated last year
• paulrobustelli / Force-Fields
  Force Fields
  ☆56Updated 2 months ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆45Updated last week
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆67Updated 2 months ago
• dspoel / remd-temperature-generator
  Temperature generator for Replica Exchange MD simulations
  ☆27Updated 2 years ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆55Updated 2 months ago
• MikkelDA / COBY
  COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3
  ☆26Updated last week
• BartBruininks / mdvwhole
  Density based object completion over PBC.
  ☆27Updated 3 months ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆47Updated last year
• michellab / a3fe
  Automated Adaptive Absolute alchemical Free Energy calculator
  ☆90Updated 3 weeks ago
• log-md / logmd
  ☆37Updated last week
• tiwarylab / alphafold2rave
  ☆69Updated 8 months ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆43Updated last month
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆51Updated 2 months ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆49Updated this week
• ghorbanimahdi73 / GraphVampNet
  ☆15Updated 2 years ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆93Updated 4 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆35Updated last week
• dkoes / md-scripts
  A collections of scripts for working molecular dynamics simulations
  ☆42Updated 10 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆57Updated 2 weeks ago