Alternatives and similar repositories for InterMol:

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

• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆168Updated 2 months ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆222Updated this week
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆148Updated 3 weeks ago
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆213Updated 4 months ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆262Updated last week
• hjkgrp / molSimplify
  molSimplify code
  ☆187Updated last week
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆143Updated 8 months ago
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆240Updated 2 weeks ago
• duartegroup / autodE
  automated reaction profile generation
  ☆178Updated 2 months ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆85Updated last week
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆78Updated last year
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆127Updated 11 months ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆110Updated 3 months ago
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆250Updated last month
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆128Updated this week
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆140Updated last week
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆145Updated 10 months ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆192Updated this week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆149Updated 2 weeks ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆76Updated 2 months ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆117Updated 2 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆63Updated 9 months ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆147Updated last month
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆116Updated 2 years ago
• eljost / pysisyphus
  Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
  ☆111Updated last month
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆148Updated last year
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆178Updated 3 months ago
• Isra3l / ligpargen
  ☆63Updated 4 months ago
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆271Updated this week
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆172Updated 2 months ago