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
  ☆38Updated 2 years ago
• pycalphad / scheil
  A Scheil-Gulliver simulation tool using pycalphad.
  ☆26Updated last month
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆79Updated 3 months ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆44Updated 4 years ago
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆84Updated 11 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 6 months ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆92Updated 2 months ago
• leetmaa / KMCLib
  A kinetic Monte Carlo Python/C++ library.
  ☆134Updated last year
• idaholab / SPPARKS
  Kinetic Monte Carlo Simulator
  ☆30Updated 5 years ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆23Updated 6 months ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆56Updated 2 weeks ago
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆92Updated this week
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆39Updated 4 years ago
• atoms-ufrj / postlammps
  A tool for performing post-processing of lammps log files
  ☆12Updated 4 years ago
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆124Updated 2 years ago
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆90Updated 4 months ago
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆59Updated last week
• khavernathy / mcmd
  Monte Carlo and Molecular Dynamics Simulation Package
  ☆93Updated last year
• materialyzeai / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆36Updated 3 years ago
• shahramyalameha / ElATools
  ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
  ☆54Updated 4 months ago
• gustavochm / sgtpy
  ☆44Updated last month
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 4 years ago
• PhasesResearchLab / ESPEI-datasets
  Datasets to be used by ESPEI. CC-BY-4.0
  ☆14Updated 4 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆98Updated last week
• deepmodeling / APEX
  APEX: Alloy Properties EXplorer using simulations
  ☆42Updated 9 months ago
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆229Updated last week
• dadams9 / GB-Dislocation-Interaction-LAMMPS
  Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals
  ☆20Updated 8 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆72Updated 8 months ago
• vanceeasleaf / aces
  A wrapper for many computational codes of thermal conductivity
  ☆27Updated 3 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated last month