hello-qm/catgo-lrg/data

Claude Code and agent skill by hello-qm/catgo-lrg

Trust tier 2
  • community
Source check pending

Checking that the SKILL.md file is still in the repository.

Route data processing requests to the appropriate tool. Covers format conversion (dpdata, OpenBabel), structure packing (Packmol), and data manipulation.

Install

npx vskill@latest install hello-qm/catgo-lrg/data

SKILL.md

Data Processing Router

Route data processing and format conversion requests to the correct sub-skill.

Routing Table

User intentRoute to
Convert DFT output (VASP/QE/CP2K) to DeePMD/other formatdpdata/SKILL.md
Convert molecular file formats (mol2, sdf, pdb, smiles)openbabel/SKILL.md
Build liquid/mixture/solution simulation boxespackmol/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

Security

  • Security scanPassed, 100 of 100Pattern checks on the skill's files.
  • Model reviewPassed

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Quality evaluation

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Source

Popularity

Repository stars
205
Repository forks
26
7-day trend score
27

Stars and forks are for the whole GitHub repository, not this skill alone. Not refreshed yet.

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