Alternatives and similar repositories for InterMol

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

• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆235Updated this week
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆153Updated 2 weeks ago
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆173Updated last week
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆224Updated last month
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆281Updated last week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆184Updated 9 months ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆315Updated this week
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆114Updated 6 months ago
• hjkgrp / molSimplify
  molSimplify code
  ☆200Updated last month
• duartegroup / autodE
  automated reaction profile generation
  ☆194Updated last month
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆134Updated last year
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆93Updated last week
• Isra3l / ligpargen
  ☆75Updated 11 months ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated last year
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆283Updated last month
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆40Updated 6 months ago
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆137Updated this week
• leeping / forcebalance
  Systematic force field optimization.
  ☆155Updated last year
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆127Updated 3 years ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆193Updated 3 weeks ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆202Updated this week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆168Updated 2 weeks ago
• infretis / infretis
  A python library for replica exchange transition interface sampling with infinite swaps
  ☆12Updated last week
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆71Updated last year
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆183Updated 3 months ago
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆70Updated 6 months ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆153Updated last week
• openmopac / mopac
  Molecular Orbital PACkage
  ☆162Updated last month
• tblite / tblite
  Light-weight tight-binding framework
  ☆171Updated this week
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆95Updated last month