Alternatives and similar repositories for pyGAPS-gui

Users that are interested in pyGAPS-gui are comparing it to the libraries listed below

• pauliacomi / awesome-adsorption
  Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.
  ☆29Updated 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…
  ☆54Updated last year
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 years ago
• DCoupry / autografs
  Python library for generation of MOFs, COFs, Zeolites...
  ☆33Updated 2 weeks ago
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆145Updated last year
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆44Updated 2 years ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆48Updated 6 months ago
• VASPsol / VASPsol
  ☆73Updated 8 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆74Updated 6 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆89Updated last year
• njszym / XRD-AutoAnalyzer
  ☆110Updated 4 months ago
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆23Updated 5 months ago
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆18Updated last year
• Iourarum / GOPY
  ☆30Updated 3 years ago
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• core-cof / CoRE-COF-Database
  ☆62Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆100Updated 3 years ago
• tgraphite / reax_tools
  A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.
  ☆68Updated last month
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆160Updated 2 years ago
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆13Updated 2 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆71Updated last year
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆29Updated 4 years ago
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆57Updated 6 years ago
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• 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.
  ☆64Updated 8 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆79Updated 2 years ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated 2 years ago