Claude Code
Codex
Cursor
GitHub Copilot
Gemini CLIAbout this skill
Use when you have raw molecular datasets (e.g., METLIN-CCS, CCSBase) with SMILES strings, 3D coordinates, adduct information, and ground-truth collision cross section labels, and you need to format them for GNN training and held-out test evaluation with consistent standardization.
Quick start
- Copy the install prompt. Use the green button above this README.
- Send it to your agent. Paste it into your coding agent’s chat and send.
- Review the setup. Your agent checks the skill’s instructions, requirements, and installation scope.
Review, license & listing details
Review the source before using this skill
This is an imported listing. We haven’t certified its safety, license, or compatibility. Skills may include executable scripts.
Automated security scan: Partial
Only SKILL.md was scanned. Supporting files and scripts were not checked. No safety grade has been assigned.
0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1
Content SHA-256: 49e79eeef90160068da22f9278e54887a3d9818617414e650ec1c987c7e3435e
About this listing
- Category
- Science & research
- Reported license
- Apache-2.0
- Listing language (estimated)
- English
- Review status
- Not individually reviewed
- Agent compatibility
- Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.