Data Processing Router
SkillDev toolsRoute data processing requests to the appropriate tool. Covers format conversion (dpdata, OpenBabel), structure packing (Packmol), and data manipulation.
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 Data Processing Router skill
What this skill tells your AI
The instructions your AI receives, as published by hello-qm/catgo-lrg in server/catgo/workflow/skills/data/SKILL.md and read by ahel’s review.
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.mdinstead
Signals
- GitHub stars
- 198
- Forks
- 23
- Last commit
- Sep 2026
ahel review
K1binfo
installs-packages (in dpdata/SKILL.md)K1binfo
installs-packages (in openbabel/SKILL.md)K1binfo
installs-packages (in packmol/SKILL.md)
Automated review, not a security audit. Ruleset v1+k2.
Advanced
- Catalog kind
- skill
- Gateway key
data-router- Source
- github.com/hello-qm/catgo-lrg