Molecular Tools Router
SkillDev toolsRoute molecular modeling tool requests. Covers RDKit (conformers, representations, fingerprints) and AmberTools antechamber (force field parameterization).
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 Molecular Tools 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/molecular/SKILL.md and read by ahel’s review.
Route molecular-level tool requests to the correct sub-skill.
Routing Table
| User intent | Route to |
|---|---|
| Conformer generation, SMILES/InChI parsing, molecular fingerprints | rdkit/SKILL.md |
| GAFF/AMBER force field parameterization, RESP charges | antechamber/SKILL.md |
Quick Decision Guide
- "Generate conformers" / "SMILES to 3D" / "molecular fingerprint" →
rdkit/SKILL.md - "Parameterize molecule" / "GAFF" / "RESP charges" / "AMBER prep" →
antechamber/SKILL.md - "Convert mol2 to pdb" / "add hydrogens" → use
data/openbabel/SKILL.mdinstead - "Pack molecules into box" → use
data/packmol/SKILL.mdinstead
Signals
- GitHub stars
- 196
- Forks
- 23
- Last commit
- Sep 2026
Advanced
- Catalog kind
- skill
- Gateway key
molecular-router- Source
- github.com/hello-qm/catgo-lrg