Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "aiida" keyword
sqlalchemy-schemadisplay 2.0
Package for the generation of diagrams based on SQLAlchemy ORM models and or the database itself7 versions - Latest release: 3 months ago - 5 dependent packages - 32.3 thousand downloads last month - 134 stars on GitHub - 1 maintainer
aiida-workgraph 0.2.3
Design flexible node-based workflow for AiiDA calculation.4 versions - Latest release: 7 days ago - 1 dependent package - 285 downloads last month - 4 stars on GitHub - 1 maintainer
aiida-ssh2win 0.2.0
A transport plugin allowing AiiDA to run calculations on Windows machines.3 versions - Latest release: 9 months ago - 1 dependent package - 39 downloads last month - 1 stars on GitHub - 1 maintainer
aiida-shell 0.7.1
AiiDA plugin that makes running shell commands easy.11 versions - Latest release: 1 day ago - 4 dependent packages - 1 dependent repositories - 741 downloads last month - 11 stars on GitHub - 1 maintainer
Top 5.4% on pypi.org
31 versions - Latest release: 22 days ago - 9 dependent packages - 3 dependent repositories - 3.22 thousand downloads last month - 52 stars on GitHub - 5 maintainers
aiida-quantumespresso 4.6.0
The official AiiDA plugin for Quantum ESPRESSO31 versions - Latest release: 22 days ago - 9 dependent packages - 3 dependent repositories - 3.22 thousand downloads last month - 52 stars on GitHub - 5 maintainers
Top 8.7% on pypi.org
21 versions - Latest release: 5 months ago - 9 dependent packages - 3 dependent repositories - 4.47 thousand downloads last month - 4 stars on GitHub - 1 maintainer
aiida-pseudo 1.5.0
AiiDA plugin that simplifies working with pseudo potentials.21 versions - Latest release: 5 months ago - 9 dependent packages - 3 dependent repositories - 4.47 thousand downloads last month - 4 stars on GitHub - 1 maintainer
aiida_orca 0.7.0
AiiDA-Orca plugin5 versions - Latest release: 12 months ago - 157 downloads last month - 7 stars on GitHub - 1 maintainer
aiida-phonopy 1.1.4
The official AiiDA plugin for Phonopy11 versions - Latest release: 5 months ago - 1 dependent package - 1 dependent repositories - 394 downloads last month - 16 stars on GitHub - 2 maintainers
aiida-dataframe 0.1.3
AiiDA data plugin for pandas DataFrame objects4 versions - Latest release: about 1 year ago - 1 dependent package - 406 downloads last month - 5 stars on GitHub - 1 maintainer
Top 2.2% on pypi.org
81 versions - Latest release: 3 months ago - 38 dependent packages - 45 dependent repositories - 9.01 thousand downloads last month - 388 stars on GitHub - 7 maintainers
aiida-core 2.5.1
AiiDA is a workflow manager for computational science with a strong focus on provenance, performa...81 versions - Latest release: 3 months ago - 38 dependent packages - 45 dependent repositories - 9.01 thousand downloads last month - 388 stars on GitHub - 7 maintainers
aiida-quantum-transport 0.1.0
A plugin for quantum transport calculations based on NEGF methods.1 version - Latest release: 11 days ago - 0 stars on GitHub - 1 maintainer
aiida-mlip 0.1.0b1
machine learning interatomic potentials aiida plugin4 versions - Latest release: 13 days ago - 93 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-aimall 0.6.12
A plugin to interface AIMAll with AiiDA6 versions - Latest release: 22 days ago - 182 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-calcmonitor 0.1.0
Description pending.1 version - Latest release: 11 months ago - 1 dependent package - 5 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-worktree 0.1.7
Design flexible node-based workflow for AiiDA calculation.16 versions - Latest release: 27 days ago - 1 dependent package - 108 downloads last month - 1 maintainer
aiida-hyperqueue 0.1.1
AiiDA plugin for the HyperQueue metascheduler2 versions - Latest release: about 1 year ago - 38 downloads last month - 4 stars on GitHub - 1 maintainer
aiida-atoms 0.1.0
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.1 version - Latest release: about 1 year ago - 35 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-project 0.5.1
An AiiDA environment manager6 versions - Latest release: 9 months ago - 69 downloads last month - 3 stars on GitHub - 1 maintainer
aiida-defects 1.0.1
AiiDA-Defects is a plugin for the AiiDA computational materials science framework, and provides t...2 versions - Latest release: about 1 year ago - 183 downloads last month - 6 stars on GitHub - 1 maintainer
aiida-pyscf 0.5.1
AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).8 versions - Latest release: 4 months ago - 296 downloads last month - 19 stars on GitHub - 1 maintainer
aiida-aurora 0.5.0
AiiDA plugin for the Aurora platform.10 versions - Latest release: 4 months ago - 107 downloads last month - 1 stars on GitHub - 3 maintainers
aiida_conda_scheduler 0.1.0
AiiDA scheduler plugins that allow for `conda run`.1 version - Latest release: almost 2 years ago - 38 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-yambo-wannier90 0.1.0b0
Plugin to combine Wannier90 interpolations with GW corrections computed by Yambo1 version - Latest release: almost 2 years ago - 91 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-grouppathx 0.2.0
AiiDA plugin provides the GroupPathX class1 version - Latest release: almost 2 years ago - 1 dependent repositories - 157 downloads last month - 0 stars on GitHub - 1 maintainer
Top 9.4% on pypi.org
65 versions - Latest release: about 1 year ago - 4 dependent packages - 4 dependent repositories - 804 downloads last month - 16 stars on GitHub - 3 maintainers
masci-tools 0.15.0
masci-tools is a collection of tools for materials science.65 versions - Latest release: about 1 year ago - 4 dependent packages - 4 dependent repositories - 804 downloads last month - 16 stars on GitHub - 3 maintainers
aiida-fenics 0.1.0
Python package containing an AiiDA Plugin for running the pfdisloc-code (phasefield dislocation i...1 version - Latest release: over 2 years ago - 1 dependent repositories - 35 downloads last month - 2 stars on GitHub - 2 maintainers
aiida-zeopp 2.0.0
AiiDA plugin for zeo++15 versions - Latest release: 9 months ago - 1 dependent package - 190 downloads last month - 5 stars on GitHub - 3 maintainers
aiida-raspa 2.0.0
AiiDA plugin for RASPA code16 versions - Latest release: 9 months ago - 1 dependent package - 1 dependent repositories - 237 downloads last month - 9 stars on GitHub - 4 maintainers
aiida-crystal-dft 0.4
Yet another AiiDA plugin for CRYSTAL code, mainly intended for use with the cloud infrastructures...1 version - Latest release: about 4 years ago - 21 downloads last month - 3 stars on GitHub - 3 maintainers
aiida-bigdft 0.3.0
Translation layer for AiiDA-PyBigDFT11 versions - Latest release: 4 months ago - 1 dependent package - 1 dependent repositories - 237 downloads last month - 0 stars on GitHub - 2 maintainers
aiida-lammps 1.0.2
AiiDA plugin for the LAMMPS code4 versions - Latest release: 19 days ago - 1 dependent repositories - 176 downloads last month - 22 stars on GitHub - 1 maintainer
aiida-codtools 3.1.0
The Official AiiDA plugin for the cod-tools package.8 versions - Latest release: over 1 year ago - 2 dependent packages - 169 downloads last month - 0 stars on GitHub - 2 maintainers
aiida-crystal 0.1.0
AiiDA plugin for CRYSTAL171 version - Latest release: over 4 years ago - 1 dependent repositories - 13 downloads last month - 5 stars on GitHub - 1 maintainer
aiida-wannier90-workflows 2.2.0
Advanced AiiDA workflows for Wannier905 versions - Latest release: 6 months ago - 1 dependent repositories - 540 downloads last month - 10 stars on GitHub - 3 maintainers
aiida-wannier90 2.1.0
AiiDA Plugin for the Wannier90 code4 versions - Latest release: 11 months ago - 3 dependent packages - 1 dependent repositories - 810 downloads last month - 9 stars on GitHub - 2 maintainers
aiida-kkr 2.1.0
AiiDA plugin for the JuKKR codes28 versions - Latest release: 6 months ago - 1 dependent repositories - 532 downloads last month - 14 stars on GitHub - 1 maintainer
aiida-s3 0.2.0
AiiDA plugin that provides a storage backend using an S3 object store as the file repository.2 versions - Latest release: about 1 year ago - 42 downloads last month - 2 stars on GitHub - 1 maintainer
aiida-nwchem 3.0.1
The official AiiDA plugin for NWChem8 versions - Latest release: 9 months ago - 2 dependent packages - 1 dependent repositories - 245 downloads last month - 2 stars on GitHub - 3 maintainers
aiida-spirit 0.2.2
AiiDA plugin for the spirit code6 versions - Latest release: 11 months ago - 56 downloads last month - 4 stars on GitHub - 1 maintainer
aiida-abinit 0.5.0
The AiiDA plugin for ABINIT.6 versions - Latest release: 7 months ago - 1 dependent package - 1 dependent repositories - 245 downloads last month - 2 stars on GitHub - 3 maintainers
aiida_firecrest 0.1.0a1
AiiDA Transport/Scheduler plugins for interfacing with FirecREST.1 version - Latest release: over 2 years ago - 126 downloads last month - 1 stars on GitHub - 1 maintainer
aiida-ase 3.0.0
The official AiiDA plugin for ASE.4 versions - Latest release: 7 months ago - 2 dependent packages - 208 downloads last month - 2 stars on GitHub - 2 maintainers
aiida-fleur 2.0.0
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workcha...15 versions - Latest release: about 1 year ago - 2 dependent packages - 1 dependent repositories - 266 downloads last month - 13 stars on GitHub - 2 maintainers
activate-aiida 0.3.0
a package to activate an aiida environment, from a yaml config file1 version - Latest release: about 4 years ago - 1 dependent repositories - 38 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-yambo 1.3.0
YAMBO plugin and workflows for AiiDA12 versions - Latest release: over 3 years ago - 1 dependent package - 389 downloads last month - 6 stars on GitHub - 2 maintainers
aiida-graphql 0.0.2
Strawberry-based GraphQL API Server for AiiDA2 versions - Latest release: over 4 years ago - 1 dependent repositories - 189 downloads last month - 2 stars on GitHub - 1 maintainer
aiida-ddec 2.0.0
AiiDA plugin for DDEC code4 versions - Latest release: 9 months ago - 1 dependent repositories - 25 downloads last month - 1 stars on GitHub - 4 maintainers
aiida-optimade 1.2.0
Expose an AiiDA database according to the [OPTIMADE API specification](https://www.optimade.org).35 versions - Latest release: 6 months ago - 1 dependent repositories - 90 downloads last month - 5 stars on GitHub - 1 maintainer
aiida-environ 1.0.0
AiiDA plugin for Environ1 version - Latest release: about 2 years ago - 27 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-diff 2.0.0
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.6 versions - Latest release: about 2 years ago - 1 dependent package - 1 dependent repositories - 60 downloads last month - 2 stars on GitHub - 3 maintainers
aiida-core-bot 1.0.0b5
The official repository for the AiiDA code5 versions - Latest release: about 5 years ago - 41 downloads last month - 400 stars on GitHub - 1 maintainer
Top 7.9% on pypi.org
74 versions - Latest release: 7 months ago - 1 dependent package - 2 dependent repositories - 3.53 thousand downloads last month - 13 stars on GitHub - 3 maintainers
aiidalab 23.3.2
Implements core functions of AiiDAlab.74 versions - Latest release: 7 months ago - 1 dependent package - 2 dependent repositories - 3.53 thousand downloads last month - 13 stars on GitHub - 3 maintainers
aiida-strain 0.2.0
AiiDA Plugin for applying strain to structures2 versions - Latest release: over 4 years ago - 1 dependent repositories - 63 downloads last month - 1 maintainer
aiida-tbextraction 0.2.0b1
AiiDA Plugin for extracting tight-binding models2 versions - Latest release: about 4 years ago - 56 downloads last month - 1 maintainer
aiida-bands-inspect 0.4.0
AiiDA Plugin for running bands_inspect5 versions - Latest release: about 4 years ago - 1 dependent repositories - 196 downloads last month - 1 maintainer
aiida-symmetry-representation 0.2.0
AiiDA Plugin for symmetry representations.2 versions - Latest release: over 4 years ago - 108 downloads last month - 1 maintainer
Top 6.4% on pypi.org
75 versions - Latest release: 3 months ago - 2 dependent packages - 10 dependent repositories - 13.4 thousand downloads last month - 8 stars on GitHub - 4 maintainers
plumpy 0.22.3
A Python workflow library.75 versions - Latest release: 3 months ago - 2 dependent packages - 10 dependent repositories - 13.4 thousand downloads last month - 8 stars on GitHub - 4 maintainers
aiida-vibroscopy 1.1.0
AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.4 versions - Latest release: 2 months ago - 184 downloads last month - 2 stars on GitHub - 1 maintainer
aiida-gromacs 2.0.7
A plugin for using GROMACS with AiiDA for molecular dymanics simulations.9 versions - Latest release: 4 months ago - 1 dependent repositories - 202 downloads last month - 5 stars on GitHub - 1 maintainer
aiida-pytest 0.1.0a8
A module to simplify using pytest for AiiDA plugins.8 versions - Latest release: over 3 years ago - 3 dependent packages - 1 dependent repositories - 50 downloads last month - 1 maintainer
aiida-quantumespresso-test 4.0.0a1
The official AiiDA plugin for Quantum ESPRESSO1 version - Latest release: almost 2 years ago - 14 downloads last month - 52 stars on GitHub - 1 maintainer
aiida-vasp 3.1.1
AiiDA plugin for running VASP calculations and workflows.14 versions - Latest release: 22 days ago - 3 dependent packages - 1 dependent repositories - 407 downloads last month - 44 stars on GitHub - 3 maintainers
aiida-castep 2.0.1
AiiDA plugin for CASTEP13 versions - Latest release: almost 2 years ago - 1 dependent package - 1 dependent repositories - 259 downloads last month - 7 stars on GitHub - 1 maintainer
aiida-tbmodels 0.3.0
AiiDA Plugin for running TBmodels5 versions - Latest release: about 4 years ago - 1 dependent repositories - 82 downloads last month - 1 maintainer
aiida-siesta 2.0.0
A plugin for Siesta's basic functionality within the AiiDA framework.9 versions - Latest release: almost 2 years ago - 2 dependent packages - 1 dependent repositories - 84 downloads last month - 6 stars on GitHub - 2 maintainers
aiida-qp2 0.2.0
AiiDA plugin for the Quantum Package 2.01 version - Latest release: about 2 years ago - 1 dependent repositories - 62 downloads last month - 12 stars on GitHub - 1 maintainer
aiida-common-workflows 1.0.1
Package that defines common interfaces for workflows that are implemented in AiiDA for various qu...3 versions - Latest release: 8 months ago - 1 dependent repositories - 27 downloads last month - 48 stars on GitHub - 1 maintainer
aiida-wien2k 0.2.0
The official AiiDA plugin for WIEN2k.4 versions - Latest release: 5 months ago - 41 downloads last month - 48 stars on GitHub - 2 maintainers
Related Keywords
workflows
33
plugin
19
dft
9
workflow
7
aiida-plugin
6
judft
5
python
5
forschungszentrum-juelich
4
data-provenance
3
band-structure
3
computational-materials-science
3
density-functional-theory
3
electronic-structure
3
high-throughput
3
all-electron
3
ab-initio
3
condensed-matter-physics
3
magnetism
3
materials-science
3
material science
2
workflow-engine
2
common-workflows
2
juelich
2
wannier90
2
full-potential
2
spintronics
2
lammps
2
quantum-espresso
2
computational-science
2
database
2
provenance
2
ssh
2
scheduler
2
materials
1
optimade
1
server
1
graphql
1
api
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yambo
1
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1
yaml
1
plane-wave
1
kohn-sham
1
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1
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1
fleur
1
ase
1
firecrest
1
abinit
1
spin-dynamics
1
pseudopotentials
1
hpc
1
heisenberg-model
1
exchange-interaction
1
nwchem
1
s3
1
superconductivity
1
siesta
1
tbmodels
1
castep
1
vasp
1
aiida-vasp
1
pytest
1
psdi-pf4
1
biomolecular-simulation
1
aiida-gromacs
1
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1
vibrational-spectroscopy
1
raman-spectra
1
phonon
1
infrared-spectra
1
dielectric
1
rabbitmq
1
multithreaded
1
representation
1
symmetry
1
bandstructure
1
extraction
1
tight-binding
1
strain
1
aiidalab
1
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1
fenics
1
phasefield-dislocation-interaction
1
phasefield
1
dislocation
1
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1
utility
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parsing
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materials-informatics
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aiida-framework
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ias
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density-of-states
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pandas
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pgi
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quantum
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transport
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visualization
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