Claude Code
Codex
Cursor
GitHub Copilot
Gemini CLIAbout this skill
Use when you have a collection of chemical structures (SMILES, InChI, SDF, or mol formats) and need to train or apply a machine learning model for retention time prediction or molecular property estimation.
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: c8ad07467c28e7158f2c215a27acf48c09fda7f0320c130c073ac22ae527c743
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.