ASE Top-Level Router
SkillProductivityUnified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE). Use when you need backend-agnostic workflow orchestration while keeping calculator-specific setup isolated in adapter subskills, with reproducible task preparation as output.
Available today. Use it from your connected AI after setup.
No other account needed.
Connect ahel once, and every AI you use reads what you have installed.
Then ask your AI: use the ASE Top-Level Router skill
What this skill tells your AI
The instructions your AI receives, as published by jinzhezenggroup/computational-chemistry-agent-skills in atomistic-workflows/ase/SKILL.md and read by ahel’s review.
Use this skill as the unified entry point for ASE ecosystem tasks.
Purpose
This skill routes requests to one branch under the ASE tree:
ase/ase-workflowsase/ase-calculators
Scope
This top-level router should:
- decide whether the request is workflow-level or backend-adapter-level
- gather the minimum context required for the selected branch
- delegate details to the corresponding branch router
- keep workflow logic and backend logic separated
This top-level router should not:
- hardcode task-specific or backend-specific parameters directly
- execute calculations directly
Routing rules
- task intent is static/relax/md/neb workflow ->
ase/ase-workflows - task intent is backend selection/configuration ->
ase/ase-calculators - if mixed request, route to
ase/ase-workflowsfirst, then callase/ase-calculatorsas dependency
Output from top-level router
Provide:
- selected ASE branch path
- reason for branch selection
- missing minimum inputs
- explicit next delegation step
Signals
- GitHub stars
- 138
- Forks
- 26
- Last commit
- Sep 2026
Advanced
- Catalog kind
- skill
- Gateway key
ase- Source
- github.com/jinzhezenggroup/computational-chemistry-agent-skills