Alternatives and similar repositories for plumed2

Users that are interested in plumed2 are comparing it to the libraries listed below

• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆285Updated last week
• grimme-lab / xtb
  Semiempirical Extended Tight-Binding Program Package
  ☆673Updated last month
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆227Updated last week
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆293Updated 4 months ago
• cclib / cclib
  Parsers and algorithms for computational chemistry logfiles
  ☆369Updated this week
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆349Updated this week
• mdtraj / mdtraj
  An open library for the analysis of molecular dynamics trajectories
  ☆657Updated this week
• ParmEd / ParmEd
  Parameter/topology editor and molecular simulator
  ☆429Updated last month
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆205Updated last year
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆261Updated 3 weeks ago
• SINGROUP / dscribe
  DScribe is a python package for creating machine learning descriptors for atomistic systems.
  ☆438Updated 7 months ago
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆300Updated last month
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆282Updated last month
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆236Updated 4 months ago
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆260Updated this week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆266Updated 3 weeks ago
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆364Updated 2 months ago
• deepmodeling / dpgen
  The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  ☆348Updated this week
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆329Updated last month
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆374Updated 3 weeks ago
• openmm / openmmforcefields
  CHARMM and AMBER forcefields for OpenMM (with small molecule support)
  ☆312Updated this week
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆163Updated last week
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆370Updated last year
• MolSSI / cookiecutter-cms
  Python-centric Cookiecutter for Molecular Computational Chemistry Packages
  ☆427Updated 3 weeks ago
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆211Updated this week
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆193Updated this week
• cctbx / cctbx_project
  Computational Crystallography Toolbox
  ☆256Updated this week
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆116Updated 3 years ago
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆231Updated last month
• openmopac / mopac
  Molecular Orbital PACkage
  ☆147Updated last month