PyRank
  • Insights
  • PyPI
  • GitHub
  • Search
  • Compare
  • Advisories
  • Ecosystem
  • About

Aiida Python Packages

Python packages with the GitHub topic aiida. Sorted by relevance, with stars and monthly downloads.
aiidateam
plumpy

A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.

45K 9 20
aiidateam
aiida-core

The official repository for the AiiDA code

37K 564 258
aiidateam
aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

13K 83 101
aiidateam
aiida-pythonjob

Run Python functions on a remote computer.

11K 2 6
aiidalab
aiidalab

Implements core functions for AiiDAlab.

9K 16 17
aiidateam
aiida-workgraph

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.

7K 27 15
sphuber
aiida-shell

AiiDA plugin that makes running shell commands easy.

6K 17 9
superstar54
aiida-bader

Collections of node-based workflow created using aiida-workgraph.

3K 2 1
aiida-phonopy
aiida-phonopy

The official AiiDA plugin for Phonopy

3K 23 20
JuDFTteam
aiida-kkr

AiiDA plugin for the JuKKR codes

3K 16 10
aiida-vasp
aiida-vasp

A plugin to AiiDA for running simulations with VASP

2K 63 54
aiidalab
aiidalab-qe-wannier90

Web GUI for Quantum ESPRESSO and Wannier90 calculations in AiiDA.

2K 0 5
JuDFTteam
aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

1K 15 8
zhubonan
aiida-castep

Interface with AiiDA to automate CASTEP calculations and preserve their provenance.

1K 7 5
aiidaplugins
aiida-qe-xspec

An AiiDA plugin designed for core-level spectroscopy calculations using Quantum ESPRESSO

1K 0 2
aiidateam
aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler

934 8 12
aiidateam
aiida-gui

Web UI to visualize and manage the AiiDA.

865 2 4
osscar-org
widget-bandsplot

A Jupyter widget to plot bandstructure and density of states.

682 17 6
janssenhenning
aiida-dataframe

AiiDA data plugin for pandas DataFrame objects

643 5 1
ethan-shanahan
aiida-fans

AiiDA plugin for FANS, an FFT-based homogenization solver.

502 3 1
aiidateam
aiida-workgraph-web-ui

Web UI to visualize and manage the AiiDA.

501 2 4
aiidaplugins
aiida-lammps

AiiDA plugin for the LAMMPS code

453 29 16
dev-zero
aiida-graphql

Strawberry-based GraphQL API Server for AiiDA

451 2 0
aiidaplugins
aiida-skeaf

AiiDA plugin for the Supercell K-space Extremal Area Finder (SKEAF) code

424 0 1
    • Data from PyPI, GitHub, ClickHouse, and BigQuery