Alternatives and similar repositories for abipy

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

• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆154Updated last week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆100Updated last week
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆124Updated 2 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆148Updated this week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆199Updated last week
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆179Updated 2 months ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆158Updated 2 weeks ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆185Updated this week
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆76Updated last year
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆221Updated this week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆141Updated 2 years ago
• vossjo / ase-espresso
  ase interface for Quantum Espresso
  ☆68Updated 5 years ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆94Updated 5 months ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆89Updated last week
• 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
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated 2 weeks ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆83Updated 8 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 11 months 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…
  ☆51Updated 2 weeks ago
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆142Updated last year
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆138Updated last week
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆135Updated 3 months ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆239Updated 8 months ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆107Updated 4 years ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆113Updated 3 months ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆92Updated 3 years ago
• marvel-nccr / quantum-mobile
  A Virtual Machine for computational materials science
  ☆94Updated 4 months ago