Alternatives and similar repositories for adsorption_tools

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

• NIST-ISODB / isodb-library
  Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)
  ☆13Updated last month
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆88Updated 3 months ago
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆71Updated 3 months ago
• CMMRLab / LUNAR
  ☆39Updated 2 weeks ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆53Updated last year
• LLNL / csld
  Compressive sensing lattice dynamics
  ☆28Updated 3 months ago
• iRASPA / RUPTURA
  ☆33Updated 4 months ago
• PEESEgroup / PSA
  PSA simulation code
  ☆15Updated 2 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆64Updated last week
• agiliopadua / compute_fep
  Free energy perturbation in LAMMPS.
  ☆23Updated 4 years ago
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆18Updated 5 months ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆42Updated last month
• usnistgov / feasst
  The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…
  ☆40Updated 3 weeks ago
• IBM / pymser
  A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …
  ☆24Updated 3 weeks ago
• CorySimon / pyIAST
  Ideal Adsorbed Solution Theory
  ☆53Updated 3 years ago
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆45Updated last week
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆25Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆94Updated 2 weeks ago
• deepmodeling / reacnetgenerator
  an automatic reaction network generator for reactive molecular dynamics simulation
  ☆87Updated last week
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated 3 months ago
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆30Updated 6 years ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 9 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated last week
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆40Updated last month
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 8 years ago
• kolmank / interfaceff2gro
  A python script to prepare GROMACS input files using INTERFACE forcefield
  ☆24Updated 3 years ago
• pauliacomi / awesome-adsorption
  Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.
  ☆26Updated 2 years ago