chemaudit-qsar-ready

chemaudit-qsar-ready is a Chemistry & materials skill for AI agents, published by Kohulan in the ChemAudit repository on GitHub. Skillspace rates chemaudit-qsar-ready D (57/100) and it passed the safety scan; the rating is based on static analysis only.

Run molecules through ChemAudit's configurable 10-step QSAR-Ready curation pipeline for ML-ready SMILES with full per-step provenance and InChIKey-change detection. Use when user says "QSAR ready", "prepare for QSAR", "curate for ML", "standardize dataset for modeling", "strip salts and desalt", "remove duplicates by InChIKey", "canonicalize tautomers for ML", "prepare SMILES for machine learning", "QSAR-2D curation", or "QSAR-3D curation". Supports single molecules and batch CSV/SDF files with pasted SMILES fallback.

Grade
D
Quality
57 / 100
Safety
Passed
GitHub stars
64

Unproven: rated by static analysis only, not yet compared head-to-head.

This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.

View source on GitHubKohulan/ChemAudit

Our review

Architecture
76 / 100
Maturity
Basic: a single SKILL.md
Security scan
Low-risk patterns
License
MIT
Adoption
Adopted by 0 other repositories, in 0 collections

What the scanner flagged

  • over-broad allowed-tools ('*')

Not checked yet

  • Not judged on the rubric yet (not a contender in its category)
  • No blind task eval yet
  • Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
  • Sibling files (scripts, references) not fetched; security scan covers SKILL.md only

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