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aiida-quantumespresso Public
Forked from aiidateam/aiida-quantumespressoThe official AiiDA plugin for Quantum ESPRESSO
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aiida-core Public
Forked from aiidateam/aiida-coreThe official repository for the AiiDA code
Python Other UpdatedApr 10, 2025 -
aiida-epw Public
AiiDA plugin package for interfacing with the Electron Phonon Wannier (EPW) code.
MIT License UpdatedMar 31, 2025 -
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high-throughput-blog Public
Material for the AiiDA blog post on setting up high-throughput calculations
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aiida-submission-controller Public
Forked from aiidateam/aiida-submission-controllerSome classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time
Python MIT License UpdatedJan 10, 2025 -
qe-tools Public
Forked from aiidateam/qe-toolsA set of useful tools for Quantum ESPRESSO
Python MIT License UpdatedNov 21, 2024 -
aiida-atomistic Public
Forked from aiidateam/aiida-atomisticAiiDA plugin which contains data and methods for atomistic simulations.
Python MIT License UpdatedAug 21, 2024 -
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hq-tests Public
Collections of files and scripts to do tests for HyperQueue on clusters
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aiida-workgraph Public
Forked from aiidateam/aiida-workgraphDesign flexible node-based workflows using AiiDA
Python MIT License UpdatedMay 2, 2024 -
aiida-project Public
Forked from aiidateam/aiida-projectAiiDA project manager
Python Other UpdatedFeb 15, 2024 -
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aiida-codtools Public
Forked from aiidateam/aiida-codtoolsAiiDA plugin for COD tools
Python MIT License UpdatedDec 14, 2023 -
aiida-wannier90-workflows Public
Forked from aiidateam/aiida-wannier90-workflowsA collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
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ADIS2023 Public
Forked from materialdigital/ADIS2023ADIS 2023
Jupyter Notebook UpdatedNov 19, 2023 -
aiida-vasp-feedstock Public
Forked from conda-forge/aiida-vasp-feedstockA conda-smithy repository for aiida-vasp.
BSD 3-Clause "New" or "Revised" License UpdatedNov 17, 2023 -
aiida-phonopy Public
Forked from aiida-phonopy/aiida-phonopyPhonon for AiiDA
Python MIT License UpdatedNov 17, 2023 -
aiida-resource-registry Public
Forked from aiidateam/aiida-resource-registryResource registry for easy setup computer and code
Python UpdatedNov 9, 2023 -
hyperqueue Public
Forked from It4innovations/hyperqueueScheduler for sub-node tasks for HPC systems with batch scheduling
Rust MIT License UpdatedSep 9, 2023 -
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aiida-common-workflows Public
Forked from aiidateam/aiida-common-workflowsA repository for the implementation of common workflow interfaces across materials-science codes and plugins
Python UpdatedAug 29, 2023 -
abipy Public
Forked from abinit/abipyOpen-source library for analyzing the results produced by ABINIT
Python Other UpdatedAug 29, 2023 -
pymatgen Public
Forked from materialsproject/pymatgenPython Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
Python MIT License UpdatedAug 21, 2023 -
CellConstructor Public
Forked from SSCHAcode/CellConstructorA python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
Python GNU General Public License v3.0 UpdatedJun 23, 2023 -
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vsc-workflows Public
Python package for quickly setting up workflows on the clusters of the VSC (Vlaams Supercomputer Centrum).
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SL3ME Public
Forked from ldwillia/SL3MEA Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
Python GNU General Public License v3.0 UpdatedJun 15, 2023 -
aiida-tutorials Public
Forked from aiidateam/aiida-tutorialsAiiDA tutorials web site
Shell UpdatedJun 4, 2023
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