workflow-engine-mapper
byheshamfs· 24 skills
Map computational materials tasks onto workflow engines such as atomate2, jobflow, AiiDA, pyiron, or a simple one-off script. Use when deciding how to structure a reproducible campaign, DAG, restart strategy, provenance record, storage layout, or migration path from ad hoc scripts to managed workflows.
How to install workflow-engine-mapper?
heshamfs/materials-simulation-skills/workflow-engine-mapper
$npx -y skills add heshamfs/materials-simulation-skills --skill workflow-engine-mapperInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/heshamfs/materials-simulation-skills" --skill "heshamfs/materials-simulation-skills/workflow-engine-mapper"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/heshamfs/materials-simulation-skills" that are relevant to the current task. Run `npx skills add "https://github.com/heshamfs/materials-simulation-skills"` and select the relevant skills, then follow their instructions.
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