Alternatives and similar repositories for ESPEI

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

• openiec / openiec
  OpenIEC: An open-source code for interfacial energy calculation in alloys
  ☆36Updated last year
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆73Updated 6 months ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆24Updated last year
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆78Updated last month
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆74Updated 4 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆58Updated 3 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆86Updated last month
• shahramyalameha / ElATools
  ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
  ☆48Updated last year
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆57Updated 7 years ago
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆212Updated last week
• pycalphad / scheil
  A Scheil-Gulliver simulation tool using pycalphad.
  ☆21Updated 3 weeks ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 2 weeks ago
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆81Updated last year
• idaholab / SPPARKS
  Kinetic Monte Carlo Simulator
  ☆30Updated 4 years ago
• gustavochm / sgtpy
  ☆43Updated 2 months ago
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆113Updated last year
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated last week
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 3 years ago
• pyiron / pyiron_meltingpoint
  A fully automated approach to determine the melting temperature of crystalline materials
  ☆20Updated 11 months ago
• lammps / pizza
  Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…
  ☆65Updated 4 years ago
• leetmaa / KMCLib
  A kinetic Monte Carlo Python/C++ library.
  ☆132Updated last year
• npaulson / pduq
  Python package for uncertainty quantification in CALPHAD
  ☆12Updated 7 months ago
• andreww / disloPy
  Richard Skelton's code for dislocations
  ☆11Updated 6 years ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated last week
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆20Updated 9 months ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆35Updated 3 years ago
• khavernathy / mcmd
  Monte Carlo and Molecular Dynamics Simulation Package
  ☆88Updated 11 months ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆46Updated last month
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆62Updated 10 months ago