Alternatives and similar repositories for GenIce

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

• MaginnGroup / PyLAT
  ☆112Updated 3 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆73Updated last year
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆41Updated 8 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆90Updated 2 years ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆100Updated 3 years ago
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆186Updated last month
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆101Updated 3 months ago
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆163Updated 2 years ago
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆157Updated last year
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆41Updated 3 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆52Updated 3 years ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆130Updated 3 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated 2 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆57Updated last week
• zorkzou / Molden2AIM
  Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
  ☆59Updated 6 months ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆72Updated last month
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆182Updated 3 months ago
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆132Updated 2 weeks ago
• CMMRLab / LUNAR
  ☆51Updated this week
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆28Updated 2 years ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆94Updated last week
• lavakyan / ase-bimetall
  Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles
  ☆11Updated 4 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆76Updated last month
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated last month
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆139Updated last week
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.
  ☆66Updated last month
• palmergroupUH / Order_Parameters_Library
  A Python/Fortran order parameter analysis library
  ☆13Updated 5 years ago