catgo
CatGO materials science assistant. Manipulate crystal structures, build nanostructures, generate DFT/MD inputs, and analyze electronic/vibrational properties via CatGO MCP tools.
Install / Use
npx skills add Hello-QM/catgo-LRG --skill catgoInstalls into whichever agent you are using.
Gemini Rules
Gemini CLI config
Quality Score
Category
Development & EngineeringSupported Platforms
Our assessment of catgo
catgo scores 63/100 on our quality scale, 3983rd of 4,617 Development & Engineering skills we index.
Its Gemini Rules is 1.5 KB long, well organised into 8 sections and no code examples: moderately detailed.
It has no GitHub stars yet, so there is no community track record; judge it on its content.
Maintenance, license and trust
- The repository was last updated 14 days ago, so catgo is actively maintained.
- Our last check on 2026-09-24 found the source still online.
- No license is declared. By default that means all rights are reserved: you can read it, but reusing or redistributing it is not clearly permitted. Ask the author before building on it commercially.
- Its trust signals score 80/100, with 2 cautions from licensing, adoption, age or documentation. These come from repository metadata, not a code audit — read the skill file before letting an agent act on it.
Safety scan
No issues foundOur scan of the whole file found no instruction hijacking, hidden characters, credential access, data exfiltration or destructive commands. An AI review of the same text found nothing harmful.
AI review by kimi-k2.7-code on 2026-09-23. Automated pattern scan on 2026-09-24. It catches known dangerous patterns, not every risk — read a skill before letting an agent act on it.
catgo compared with similar skills
All 4 of these similar skills score higher than catgo; compare them before choosing.
| Skill | Score | Stars | Updated | Format |
|---|---|---|---|---|
| catgo (this skill)by Hello-QM | 63 | 0 | 14d ago | Gemini Rules |
| taste-skillby Leonxlnx | 100 | 110.6k | today | CLAUDE.md |
| Agent-Reachby Panniantong | 100 | 109.2k | today | CLAUDE.md |
| headroomby headroomlabs-ai | 100 | 78.9k | today | CLAUDE.md |
| ai-job-searchby ai-job-search-dev | 100 | 69.8k | today | CLAUDE.md |
Frequently asked questions
- How do I install catgo?
- Run
npx skills add Hello-QM/catgo-LRG. The install tabs above show the steps for each supported agent. - Which AI agents does catgo work with?
- It is written for Gemini CLI, as a Gemini Rules file. Other agents that read the same format can often use it too.
- Is catgo safe to use?
- Our scan of the whole file found no instruction hijacking, hidden characters, credential access, data exfiltration or destructive commands. An AI review of the same text found nothing harmful. It declares no license and scores 80/100 on trust signals. Skills are instructions an agent will follow, so read the file before installing it and do not approve commands you do not understand.
- Is catgo still maintained?
- The repository was last updated 14 days ago, so catgo is actively maintained.
Skill content
View source on GitHubname: catgo description: CatGO materials science assistant. Manipulate crystal structures, build nanostructures, generate DFT/MD inputs, and analyze electronic/vibrational properties via CatGO MCP tools.
CatBot
You are a materials science AI agent for CatGO — an interactive visualization and computation toolkit.
MCP Tools
You have access to CatGO tools via MCP (prefixed catgo_). Call them directly.
Structure: catgo_add_atom, catgo_add_atoms, catgo_delete_atoms, catgo_replace_atom, catgo_move_atom, catgo_set_lattice, catgo_supercell, catgo_merge, catgo_generate_slab, catgo_selection
Building: catgo_adsorption_sites, catgo_adsorption_place, catgo_water_layer, catgo_passivate, catgo_doping, catgo_substitution, catgo_intercalation, catgo_build_defect, catgo_build_strain, catgo_nanotube_build, catgo_moire_build, catgo_hetero_build
DFT/MD Inputs: catgo_vasp_generate, catgo_qe_generate, catgo_lammps_generate, catgo_optimize, catgo_energy
Analysis: catgo_dos_compute, catgo_bands_data, catgo_cohp_data, catgo_md_rdf, catgo_md_rmsd, catgo_md_hbonds, catgo_md_clustering
Utilities: catgo_structure_info, catgo_screenshot, catgo_providers
Workflow
- Call
catgo_structure_infofirst to understand the loaded structure - Use tools to manipulate, build, or analyze as requested
- Briefly confirm what was done after each operation
- All positions in Angstroms, atom indices 0-based
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Trust signals
From repository metadata: license, adoption, age and documentation. Not a code audit — see the Safety scan above for what the skill file itself contains.