Automated Interactive Infrastructure and Database
AiiDA is an open-source Python infrastructure for managing and tracking complex computational workflows — built for reproducibility, scale, and the long tail of "what did I run six months ago?"
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Showing 10 of 82 repositories
- plumpy Public
A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.
- staged-recipes Public Forked from conda-forge/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
- aiida-rest-client Public
- aiida-workgraph Public
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
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