Alternatives and similar repositories for GenIce:

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

• MaginnGroup / PyLAT
  ☆106Updated 2 years ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆72Updated last year
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆157Updated 4 months ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆32Updated 2 years ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆145Updated 7 months ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆58Updated 6 months ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆109Updated last month
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆83Updated this week
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆35Updated last month
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆86Updated last year
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆50Updated last year
• farbod-nobar / GRADE
  GRADE: A code to determine clathrate hydrate structures. GRADE analyzes atomic positions of water molecules to compute the number of 5(12…
  ☆21Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆92Updated 2 years ago
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
  ☆56Updated 2 months ago
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆141Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆87Updated 7 months ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆71Updated 3 weeks ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆107Updated 2 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆76Updated 2 months ago
• cp2k / cp2k-output-tools
  Python tools to handle CP2K output files
  ☆37Updated last week
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆193Updated 8 months ago
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆134Updated 7 months ago
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆71Updated 3 weeks ago
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 3 years ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆46Updated 7 months ago
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆88Updated 4 months ago
• ZimmermanGroup / pyGSM
  Thermal and photochemical reaction path optimization and discovery
  ☆59Updated 9 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆65Updated last week
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆115Updated 2 years ago
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆63Updated this week