Alternatives and similar repositories for aiida-shell:

Users that are interested in aiida-shell are comparing it to the libraries listed below

• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆27Updated 6 months ago
• aiidateam / qe-tools
  A set of useful tools for Quantum ESPRESSO
  ☆31Updated 3 months ago
• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆17Updated last week
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆23Updated 2 weeks ago
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆52Updated 3 months ago
• aiida-phonopy / aiida-phonopy
  Phonon for AiiDA
  ☆18Updated 3 weeks ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆32Updated 3 years ago
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆50Updated this week
• perturbo-code / perturbopy
  Suite of Python scripts for Perturbo testing and postprocessing
  ☆10Updated last week
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆59Updated 3 months ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆42Updated last week
• SSCHAcode / CellConstructor
  A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
  ☆19Updated 3 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆45Updated last week
• aiidalab / aiidalab-qe
  AiiDAlab App for Quantum ESPRESSO
  ☆13Updated this week
• aiidateam / aiida-quantumespresso
  The official AiiDA plugin for Quantum ESPRESSO
  ☆58Updated 2 weeks ago
• pmla / evgraf
  Geometric analysis of crystal structures
  ☆15Updated 2 years ago
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆27Updated last week
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated 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…
  ☆65Updated 6 months ago
• pace-neutrons / Euphonic
  Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…
  ☆31Updated last week
• NickWoods1 / scf-xn-testsuite
  Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge
  ☆13Updated 5 years ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆42Updated 4 months ago
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆37Updated 6 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆33Updated this week
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆75Updated 2 years ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆41Updated 9 months ago
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆38Updated last week
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆73Updated 3 weeks ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆52Updated 3 months ago