Alternatives and similar repositories for ASCENDS

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

• PhasesResearchLab / ESPEI
  Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
  ☆74Updated 5 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 2 weeks ago
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆55Updated 3 years ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆113Updated last year
• uw-cmg / MAST-ML
  MAterials Simulation Toolkit for Machine Learning (MAST-ML)
  ☆123Updated 3 months ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆24Updated this week
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆83Updated last year
• leetmaa / KMCLib
  A kinetic Monte Carlo Python/C++ library.
  ☆132Updated last year
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 5 years ago
• vanceeasleaf / aces
  A wrapper for many computational codes of thermal conductivity
  ☆25Updated 3 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆124Updated last week
• kostergroup / SIMsalabim
  A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)
  ☆72Updated last month
• crivello-jc / sigma-phase-prediction
  This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…
  ☆10Updated 3 years ago
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆75Updated 7 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated last week
• JQFonseca / computing_materials_science
  Jupyter notebooks for the Computing and Comunication skills 1st Year Materials Science Course at Manchester
  ☆46Updated last year
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆57Updated 7 years ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 2 weeks ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• openiec / openiec
  OpenIEC: An open-source code for interfacial energy calculation in alloys
  ☆36Updated last year
• PhasesResearchLab / dfttk-2021
  Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.
  ☆16Updated last year
• hidecode221b / LG4X
  A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…
  ☆54Updated last month
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 3 years ago
• materialsproject / pymatgen-db
  Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…
  ☆50Updated last week
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆64Updated last week
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆57Updated 8 months ago
• MaterialsDiscovery / PyChemia
  Python Materials Discovery Framework
  ☆75Updated last year
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆38Updated 7 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated this week