Alternatives and similar repositories for awesome-adsorption

Users that are interested in awesome-adsorption are comparing it to the libraries listed below

• 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
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆18Updated last year
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated last year
• Chung-Research-Group / AIM
  AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling
  ☆15Updated last month
• CMMRLab / LUNAR
  ☆50Updated this week
• bartoszmazurwro / RASPA2_GC-TMMC
  Modification of RASPA2 code for GC-TMMC simulations
  ☆12Updated last year
• orlandoacevedo / DES
  Deep eutectic solvent force field parameters (OPLS-DES)
  ☆13Updated 3 years ago
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 years ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆79Updated 6 months ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆29Updated 4 years ago
• deepmodeling / reacnetgenerator
  an automatic reaction network generator for reactive molecular dynamics simulation
  ☆95Updated this week
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆71Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• computron / pymatgen_tutorials
  Tutorials for using the pymatgen library
  ☆62Updated 6 months ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• mme-ucl / CmuMD
  CmuMD implementation for PLUMED2
  ☆19Updated 2 years 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
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated last month
• kaitrepte / porE
  Porosity analysis tool
  ☆18Updated 4 years ago
• iRASPA / RASPA3
  This software is a general purpose classical simulation package. Online documentation available at:
  ☆79Updated this week
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆100Updated 2 months ago
• iRASPA / RUPTURA
  ☆39Updated 10 months ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 8 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆70Updated 6 months ago
• LopezGroup-ICIQ / care
  Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…
  ☆41Updated last week
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆59Updated 2 months ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆133Updated last week
• zhaoqy1996 / YARP
  ☆50Updated 3 years ago