Route data processing requests to the appropriate tool. Covers format conversion (dpdata, OpenBabel), structure packing (Packmol), and data manipulation.
Scanned 9/20/2026
Install to Claude Code
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---
name: data-router
description: >
Route data processing requests to the appropriate tool. Covers format conversion
(dpdata, OpenBabel), structure packing (Packmol), and data manipulation.
compatibility: >
Tools are Python packages or standalone binaries. Check individual sub-skills for requirements.
---
# Data Processing Router
Route data processing and format conversion requests to the correct sub-skill.
## Routing Table
| User intent | Route to |
|---|---|
| Convert DFT output (VASP/QE/CP2K) to DeePMD/other format | `dpdata/SKILL.md` |
| Convert molecular file formats (mol2, sdf, pdb, smiles) | `openbabel/SKILL.md` |
| Build liquid/mixture/solution simulation boxes | `packmol/SKILL.md` |
## Quick Decision Guide
- "Convert OUTCAR to DeePMD" / "make training data" → `dpdata/SKILL.md`
- "Convert SMILES to 3D" / "mol2 to pdb" / "add hydrogens" → `openbabel/SKILL.md`
- "Pack molecules in box" / "water box" / "mixture" → `packmol/SKILL.md`
- "Build slab" / "add adsorbate" → use CatGo's `structure/SKILL.md` instead
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