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 last year
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆74Updated 6 months ago
• pycalphad / scheil
  A Scheil-Gulliver simulation tool using pycalphad.
  ☆21Updated 2 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated last month
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆75Updated 8 months ago
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆20Updated 11 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
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 2 months ago
• leetmaa / KMCLib
  A kinetic Monte Carlo Python/C++ library.
  ☆131Updated last year
• idaholab / SPPARKS
  Kinetic Monte Carlo Simulator
  ☆30Updated 4 years ago
• gustavochm / sgtpy
  ☆44Updated 4 months ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆24Updated last month
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆57Updated 7 years 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…
  ☆67Updated 4 years ago
• kostergroup / SIMsalabim
  A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)
  ☆73Updated 2 weeks ago
• materialsgenomefoundation / kawin
  A python package to simulate precipitation and diffusion behavior using Calphad
  ☆35Updated last month
• deepmodeling / APEX
  APEX: Alloy Properties EXplorer using simulations
  ☆37Updated 4 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 7 months ago
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆82Updated 3 months ago
• dadams9 / GB-Dislocation-Interaction-LAMMPS
  Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals
  ☆18Updated 8 years ago
• PhasesResearchLab / ESPEI-datasets
  Datasets to be used by ESPEI. CC-BY-4.0
  ☆13Updated 3 years ago
• atoms-ufrj / postlammps
  A tool for performing post-processing of lammps log files
  ☆13Updated 4 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆88Updated 3 months ago
• shahramyalameha / ElATools
  ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
  ☆49Updated 2 weeks ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 3 years ago
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆84Updated 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 3 months ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated 2 weeks ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆47Updated this week