Alternatives and similar repositories for vmd-python

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

• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆223Updated 2 weeks ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆127Updated 3 months ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆117Updated 7 years ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆116Updated last month
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆185Updated 5 months ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆94Updated last week
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆209Updated this week
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆139Updated last week
• leeping / forcebalance
  Systematic force field optimization.
  ☆157Updated last year
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆175Updated 3 weeks ago
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆65Updated 2 months ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆237Updated last week
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆133Updated 3 years ago
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆72Updated 8 months ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• hjkgrp / molSimplify
  molSimplify code
  ☆210Updated last week
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 3 months ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆90Updated 2 years ago
• qubekit / QUBEKit
  Quantum Mechanical Bespoke Force Field Derivation Toolkit
  ☆105Updated last year
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆291Updated 3 months ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆130Updated 3 years ago
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆82Updated 6 years ago
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆182Updated last month
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆135Updated 2 weeks ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆160Updated last week
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆206Updated last week
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆141Updated last week
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆135Updated last year
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆137Updated 6 years ago
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆193Updated 2 years ago