Alternatives and similar repositories for vmd-python:

Users that are interested in vmd-python are comparing it to the libraries listed below

• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆242Updated 3 months ago
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆193Updated 7 months ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆122Updated 2 months ago
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆257Updated this week
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆111Updated 5 years ago
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆123Updated 7 months ago
• tubiana / TTClust
  clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
  ☆111Updated 8 months ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆110Updated 6 years ago
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆111Updated 2 years ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆82Updated last month
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆215Updated 3 weeks ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆135Updated last week
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆128Updated 3 months ago
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆142Updated last week
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆114Updated 2 years ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆86Updated last year
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆107Updated this week
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆202Updated last month
• ricalessandri / Martini3-small-molecules
  Martini 3 small-molecule database
  ☆56Updated 4 months ago
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆181Updated last year
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆172Updated 3 months ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆34Updated last week
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆73Updated 5 years ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆105Updated this week
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆173Updated this week
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆51Updated 9 months ago
• Isra3l / ligpargen
  ☆61Updated last month
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆323Updated this week
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆196Updated 3 weeks ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆242Updated 2 weeks ago