Alternatives and similar repositories for PoreBlazer

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

• CMMRLab / LUNAR
  ☆48Updated 2 weeks ago
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆70Updated last year
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 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
• paduagroup / clandp
  Force field for ionic liquids
  ☆68Updated 5 months ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆51Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆64Updated last year
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆58Updated 3 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆27Updated 2 years ago
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆18Updated 11 months ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 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 5 months ago
• ulissigroup / vasp-interactive
  ☆69Updated 2 years ago
• Iourarum / GOPY
  ☆30Updated 2 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated 3 weeks ago
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆145Updated last year
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆72Updated 5 months ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 8 years ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• VASPsol / VASPsol
  ☆70Updated 6 months ago
• iRASPA / RASPA3
  This software is a general purpose classical simulation package. Online documentation available at:
  ☆78Updated this week
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆59Updated last month
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆75Updated 2 weeks ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• snurr-group / gRASPA
  GPU Monte Carlo Simulation Code with a taste of RASPA
  ☆72Updated last week
• yuanyue-liu-group / CP-MACE
  ☆31Updated last month