Alternatives and similar repositories for aiidalab-docker-stack:

Users that are interested in aiidalab-docker-stack are comparing it to the libraries listed below

• aiidalab / aiidalab
  Implements core functions for AiiDAlab.
  ☆15Updated last month
• microsoft / aiida-dynamic-workflows
  An AiiDA plugin for dynamically defining workflows using Python functions
  ☆17Updated 2 years ago
• aiidalab / aiidalab-qe
  AiiDAlab App for Quantum ESPRESSO
  ☆14Updated this week
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆53Updated 4 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆14Updated 6 months ago
• mpds-io / mpds-api
  Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…
  ☆24Updated last month
• aiida-phonopy / aiida-phonopy
  Phonon for AiiDA
  ☆19Updated last week
• ashtonmv / pyrho
  A real-space DFT code
  ☆16Updated 4 years ago
• osscar-org / widget-bandsplot
  A Jupyter widget to plot bandstructure and density of states.
  ☆14Updated 6 months ago
• materialsproject / maggma
  Building blocks for scientific data pipelines
  ☆39Updated this week
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆85Updated this week
• EDRIXS / edrixs
  An open source toolkit for simulating RIXS spectra based on ED
  ☆34Updated this week
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 4 months ago
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆27Updated 2 weeks ago
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 8 years ago
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆15Updated 2 weeks ago
• sphuber / aiida-shell
  AiiDA plugin that makes running shell commands easy.
  ☆14Updated last month
• jrbp / pysotropy
  python interface to isotropy
  ☆13Updated 4 years ago
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆17Updated 4 years ago
• aiidateam / aiida-quantumespresso
  The official AiiDA plugin for Quantum ESPRESSO
  ☆58Updated last month
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆37Updated 7 months ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆100Updated this week
• aiidateam / qe-tools
  A set of useful tools for Quantum ESPRESSO
  ☆31Updated 3 months ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆131Updated this 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
• Matgenix / turbomoleio
  Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…
  ☆20Updated last month
• JuDFTteam / aiida-kkr
  AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…
  ☆14Updated last month
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆21Updated 4 years ago
• pyiron / executorlib
  Up-scale python functions for high performance computing (HPC)
  ☆17Updated this week
• glotzerlab / gsd
  Read and write GSD files for use with HOOMD-blue.
  ☆25Updated last week