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
  ☆338Updated last week
• grimme-lab / xtb
  Semiempirical Extended Tight-Binding Program Package
  ☆745Updated last week
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆311Updated 2 months ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆237Updated last week
• cclib / cclib
  Parsers and algorithms for computational chemistry logfiles
  ☆386Updated last week
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆379Updated 2 weeks ago
• ParmEd / ParmEd
  Parameter/topology editor and molecular simulator
  ☆446Updated 3 weeks ago
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆412Updated this week
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆292Updated last month
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆223Updated 2 weeks ago
• mdtraj / mdtraj
  An open library for the analysis of molecular dynamics trajectories
  ☆693Updated this week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆285Updated this week
• SINGROUP / dscribe
  DScribe is a python package for creating machine learning descriptors for atomistic systems.
  ☆457Updated 4 months ago
• deepmodeling / dpgen
  The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  ☆378Updated last week
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆241Updated 10 months ago
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆315Updated last week
• MolSSI / cookiecutter-cms
  Python-centric Cookiecutter for Molecular Computational Chemistry Packages
  ☆445Updated last month
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆380Updated last week
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆291Updated 3 months ago
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆340Updated this week
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆313Updated last month
• openmm / openmmforcefields
  CHARMM and AMBER forcefields for OpenMM (with small molecule support)
  ☆346Updated last month
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆182Updated last month
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆356Updated last week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆186Updated last month
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆386Updated 2 years ago
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆206Updated last month
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆243Updated last week
• nwchemgit / nwchem
  NWChem: Open Source High-Performance Computational Chemistry
  ☆584Updated last week
• openmopac / mopac
  Molecular Orbital PACkage
  ☆167Updated 2 months ago