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Paul Scherrer Institute
- Villigen
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23:15
(UTC +01:00) - in/julian-geiger-phd-12b267198
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compare-workflow-graphs Public
Forked from pyiron-dev/compare-workflow-graphsCompare workflow graphs to identify a superset of commands which supports both file based workflows as well as python workflows.
Jupyter Notebook UpdatedMar 1, 2025 -
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 UpdatedFeb 28, 2025 -
node-graph Public
Forked from scinode/node-graphCreate node-based workflows.
Python MIT License UpdatedFeb 28, 2025 -
aiida-core Public
Forked from aiidateam/aiida-coreThe official repository for the AiiDA code
Python Other UpdatedFeb 27, 2025 -
2025-02-26-lms-gm Public
Code, figures, and other files for LMS group meeting on 2025-02-26.
Python UpdatedFeb 25, 2025 -
Sirocco Public
Forked from C2SM/SiroccoAiiDA based Weather and climate workflow tool
Python MIT License UpdatedFeb 24, 2025 -
aiida-website Public
Forked from aiidateam/aiida-websiteThe primary website for AiiDA
Python MIT License UpdatedFeb 21, 2025 -
ADIS2023 Public
Forked from materialdigital/ADIS2023Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.
Jupyter Notebook UpdatedFeb 4, 2025 -
aiida-quantumespresso Public
Forked from aiidateam/aiida-quantumespressoThe official AiiDA plugin for Quantum ESPRESSO
Python Other UpdatedJan 31, 2025 -
aiida-tutorials Public
Forked from aiidateam/aiida-tutorialsAiiDA tutorials web site
Shell UpdatedJan 23, 2025 -
aiida-icon Public
Forked from aiida-icon/aiida-iconAiiDA Plugin to run simulations with the ICON weather & climate model
Python MIT License UpdatedDec 18, 2024 -
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contributed-project-templates Public
Forked from SwissDataScienceCenter/contributed-project-templatesA repository of community-developed project templates.
R Apache License 2.0 UpdatedDec 6, 2024 -
aiida-koopmans Public
Forked from mikibonacci/aiida-koopmansJupyter Notebook MIT License UpdatedDec 5, 2024 -
disk-objectstore Public
Forked from aiidateam/disk-objectstoreAn implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server
Python MIT License UpdatedDec 3, 2024 -
2024-10-10-GM-dumping Public
Files for GM on 2024-10-10 to showcase developments in the dumping feature
UpdatedOct 21, 2024 -
aiida-code-registry Public
Forked from aiidateam/aiida-code-registryRegistry of simulation codes and computers for easy setup in AiiDA.
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sklwrap Public
Some wrapper functions to quickly use and evaluate sklearn predictors.
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fair-workflows-workshop Public
Tutorial files for the FAIR workflows workshop at Purdue University on 13/08 and 14/08 of 2024.
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aiida-mybinder Public
MyBinder deployment for aiida-core
GNU General Public License v3.0 UpdatedJul 21, 2024 -
aiida-shell Public
Forked from sphuber/aiida-shellAiiDA plugin that makes running shell commands easy.
Python MIT License UpdatedJul 16, 2024 -
awesome-workflow-engines Public
Forked from meirwah/awesome-workflow-enginesA curated list of awesome open source workflow engines
Apache License 2.0 UpdatedJul 10, 2024 -
aiida-atomistic Public
Forked from mikibonacci/aiida-atomisticAiiDA plugin which contains data and methods for atomistic simulations.
Python MIT License UpdatedMay 29, 2024 -
koopmans Public
Forked from mikibonacci/koopmansImplementation of Koopmans-compliant functionals in Quantum ESPRESSO
Python GNU General Public License v2.0 UpdatedMay 22, 2024 -
aiida-project Public
Forked from aiidateam/aiida-projectAiiDA project manager
Python Other UpdatedMay 15, 2024 -
aiida-icon-clm Public
Forked from DropD/aiida-icon-clmProof-of-Concept for an ICON-CLM workflow using AiiDA.
Python MIT License UpdatedApr 30, 2024 -
msd-gm-shell Public
Repository for the MSD group meeting about sexy shell configurations given on 2024-04-25 by Julian Geiger at PSI. Contributions/issues welcome!
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plugin-aiida Public
Aliases for verdi, the command-line interface of AiiDA.
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aiida-statistics-query Public
Forked from aiidateam/aiida-statistics-queryCompute statistics of AiiDA databases
Python UpdatedApr 22, 2024