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aiida-workgraph Public
Forked from aiidateam/aiida-workgraphEfficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
Python MIT License UpdatedJan 17, 2025 -
undi Public
Forked from bonfus/undimUon Nuclear Dipolar Interaction
Python GNU General Public License v3.0 UpdatedJan 17, 2025 -
aiida-core Public
Forked from aiidateam/aiida-coreThe official repository for the AiiDA code
Python Other UpdatedJan 16, 2025 -
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yambopy Public
Forked from yambo-code/yambopyPython scripts to manage and postprocess quantum espresso and yambo calculation.
Python GNU General Public License v2.0 UpdatedJan 9, 2025 -
aiida-yambo Public
Forked from yambo-code/aiida-yamboAiida Plugin and related Yambo development
Python Other UpdatedDec 20, 2024 -
aiidalab-qe Public
Forked from aiidalab/aiidalab-qeAiiDAlab App for Quantum ESPRESSO
Python MIT License UpdatedDec 19, 2024 -
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ScientificCompiler Public
Collection of configuration scripts, tricks and other stuff on how to compile and set up a running yambo on different machines.
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aiida-quantumespresso Public
Forked from aiidateam/aiida-quantumespressoThe official AiiDA plugin for Quantum ESPRESSO
Python Other UpdatedDec 5, 2024 -
aiida-atomistic Public
Forked from aiidateam/aiida-atomisticAiiDA plugin which contains data and methods for atomistic simulations.
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koopmans Public
Forked from epfl-theos/koopmansImplementation of Koopmans-compliant functionals in Quantum ESPRESSO
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aiida-impuritysupercellconv Public
Forked from positivemuon/aiida-impuritysupercellconvPython Other UpdatedNov 24, 2024 -
MJOLNIR Public
Forked from MJOLNIRPackage/MJOLNIRNeutron scattering software to be used at Multiplexing Joint Organization
Python Mozilla Public License 2.0 UpdatedOct 29, 2024 -
aiida-muon Public
Forked from positivemuon/aiida-muonaiida workchain for finding candidate implantation site(s) for the muon and contact hyperfine contribution to the local field.
Python Other UpdatedOct 22, 2024 -
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aiida-resource-registry Public
Forked from aiidateam/aiida-resource-registryResource registry for easy setup computer and code
Python UpdatedSep 30, 2024 -
musconv Public
Forked from positivemuon/musconvSupercell convergence checks from SCF forces
Python MIT License UpdatedJul 16, 2024 -
mystmd-quickstart Public
Forked from jupyter-book/mystmd-quickstartRepository to be used in the mystjs quickstart guide
Jupyter Notebook UpdatedJul 13, 2024 -
aiidalab-widgets-base Public
Forked from aiidalab/aiidalab-widgets-baseReusable widgets for AiiDAlab applications
Python MIT License UpdatedJul 5, 2024 -
aiidalab-docker-stack Public
Forked from aiidalab/aiidalab-docker-stackDocker images with the basic software stack for AiiDAlab
Python Other UpdatedJul 3, 2024 -
aiida-code-registry Public
Forked from aiidateam/aiida-code-registryRegistry of simulation codes and computers for easy setup in AiiDA.
Python UpdatedJul 3, 2024 -
aiida-firecrest Public
Forked from khsrali/aiida-firecrestAiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)
Python MIT License UpdatedJul 2, 2024 -
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tools-phonon-dispersion Public
Forked from materialscloud-org/tools-phonon-dispersionVisualize interactively phonon dispersions and their eigenvectors
CSS Other UpdatedJun 5, 2024 -
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
Python Other UpdatedApr 30, 2024
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