Alternatives and similar repositories for packmol

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

• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆211Updated last year
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆294Updated last week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆176Updated 6 months ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆238Updated 5 months ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆231Updated this week
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆267Updated 3 weeks ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆152Updated last month
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆165Updated last month
• i-pi / i-pi
  i-PI: a universal force engine
  ☆267Updated last week
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆181Updated last month
• infretis / infretis
  A python library for replica exchange transition interface sampling with infinite swaps
  ☆10Updated 2 weeks ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆83Updated last year
• plumed / plumed2
  Development version of plumed 2
  ☆444Updated last week
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆78Updated 2 months ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆184Updated 3 weeks ago
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆380Updated this week
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆265Updated 2 weeks ago
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆303Updated last week
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆37Updated 2 months ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆119Updated 2 weeks ago
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆195Updated last week
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆155Updated 2 years ago
• MaginnGroup / PyLAT
  ☆110Updated 2 years ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆172Updated 3 weeks ago
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆215Updated this week
• Allen-Tildesley / examples
  Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…
  ☆323Updated 3 months ago
• deepmodeling / DMFF
  DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…
  ☆179Updated last week
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆91Updated this week
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆148Updated 11 months ago
• grimme-lab / xtb
  Semiempirical Extended Tight-Binding Program Package
  ☆686Updated 3 weeks ago