Alternatives and similar repositories for colvars

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

• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆203Updated last year
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆344Updated this week
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆155Updated last month
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆257Updated 3 months ago
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆186Updated last year
• hjkgrp / molSimplify
  molSimplify code
  ☆190Updated 2 weeks ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆142Updated last month
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆279Updated 2 weeks ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆276Updated last week
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆118Updated 5 years ago
• openmm / openmmforcefields
  CHARMM and AMBER forcefields for OpenMM (with small molecule support)
  ☆306Updated last month
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆216Updated this week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆170Updated 4 months ago
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆229Updated 2 weeks ago
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆258Updated 3 weeks ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated 2 months ago
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆151Updated 2 months ago
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆129Updated 2 weeks ago
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆297Updated 2 weeks ago
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆180Updated 5 months ago
• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆150Updated last month
• isayev / ASE_ANI
  ANI-1 neural net potential with python interface (ASE)
  ☆224Updated last year
• deepmodeling / DMFF
  DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…
  ☆176Updated 2 months ago
• leeping / forcebalance
  Systematic force field optimization.
  ☆151Updated 6 months ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆301Updated last year
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆180Updated 4 months ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆146Updated 9 months ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆139Updated 2 weeks ago
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆115Updated 3 years ago
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆128Updated last year