Alternatives and similar repositories for pMuTT

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

• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated this week
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆26Updated 6 years ago
• VlachosGroup / Multiscale-KMC
  Kinetic Monte Carlo with multiple time scales and sensitivity analysis
  ☆28Updated 2 years ago
• zadorlab / KinBot
  Automated reaction pathway search for gas-phase molecules
  ☆57Updated this week
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆55Updated 3 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆26Updated 3 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 2 weeks ago
• CMMRLab / LUNAR
  ☆44Updated 2 weeks ago
• ttadano / ALM
  ☆21Updated last year
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 4 months ago
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆74Updated 6 months ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 3 years ago
• iRASPA / RUPTURA
  ☆39Updated 8 months ago
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆25Updated this week
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆67Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆96Updated 4 months ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆73Updated this week
• 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.
  ☆63Updated 6 months ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆26Updated 2 years ago
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆36Updated this week
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆45Updated 5 years ago
• i-pi / tutorials-schools
  ☆18Updated 4 years ago
• dgehringer / sqsgenerator
  A for finding optimized SQS structures tool written in C++
  ☆50Updated this week
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 3 weeks ago
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆28Updated last month
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆44Updated 3 weeks ago