Alternatives and similar repositories for RASPA2:

Users that are interested in RASPA2 are comparing it to the libraries listed below

• MaginnGroup / PyLAT
  ☆108Updated 2 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…
  ☆52Updated last year
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆147Updated last year
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆77Updated last year
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆110Updated last week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆168Updated 2 months ago
• deepmodeling / reacnetgenerator
  an automatic reaction network generator for reactive molecular dynamics simulation
  ☆86Updated this week
• iRASPA / RASPA3
  This software is a general purpose classical simulation package.
  ☆59Updated this week
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆145Updated 9 months ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆94Updated 2 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 8 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆66Updated 2 months ago
• tobacco-mofs / tobacco_3.0
  ☆53Updated 4 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• SUNCAT-Center / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆104Updated 6 months ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆92Updated 9 months 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.
  ☆58Updated last month
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆55Updated 5 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆113Updated 2 weeks ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆40Updated last week
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆163Updated last week
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆72Updated 3 months ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆24Updated last year
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated 2 months ago
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆20Updated last month
• paduagroup / clandp
  Force field for ionic liquids
  ☆63Updated 8 months ago
• numat / RASPA2
  NO LONGER UPDATED. Use the official repository.
  ☆82Updated 4 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆49Updated 3 years ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆81Updated 3 years ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆114Updated this week