Alternatives and similar repositories for pyiron_meltingpoint

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

• ttadano / ALM
  ☆21Updated last year
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 4 months ago
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆47Updated 5 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 6 months ago
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆38Updated 7 years ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 3 months ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 7 months ago
• ashtonmv / pyrho
  A real-space DFT code
  ☆16Updated 5 years ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆27Updated 6 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆44Updated 4 months ago
• lan496 / crystal-symmetry-primer
  Primer of crystal symmetry and space group
  ☆16Updated last week
• spglib / spgrep
  On-the-fly generator of space-group irreducible representations
  ☆56Updated this week
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated last week
• tsudalab / PDC
  Efficient phase diagram construction based on uncertainty sampling
  ☆15Updated 3 years ago
• amirhajibabaei / AutoForce
  Sparse Gaussian Process Potentials
  ☆28Updated 3 months ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆29Updated 3 years ago
• PhasesResearchLab / dfttk-2021
  Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.
  ☆16Updated 2 years ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…
  ☆35Updated last week
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆18Updated 5 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• materialyzeai / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆36Updated 3 years ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆28Updated 4 years ago
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated last year
• bjmorgan / VASP-Utilities
  A collection of command line utilities for manipulating VASP input / outpu
  ☆25Updated 3 years ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• deepmodeling / APEX
  APEX: Alloy Properties EXplorer using simulations
  ☆42Updated 8 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆47Updated this week
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated 6 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 5 months ago
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆40Updated last year