bio-reaction-enumeration
bio-reaction-enumeration is a Chemistry & materials skill for AI agents, published by GPTomics in the bioSkills repository on GitHub. Skillspace rates bio-reaction-enumeration C (76/100) and it passed the safety scan; the rating is based on static analysis only.
Enumerates virtual chemical libraries via reaction SMARTS transformations using RDKit and reaction templates, with explicit handling of atom mapping, RDChiral template extraction, product validation, RECAP/BRICS fragmentation, R-group decomposition, matched molecular pair analysis (MMPA), and Free-Wilson analysis. Use when generating combinatorial libraries from building blocks, enumerating analog series, deriving structure-activity rules, or extracting transformations from reaction data.
- Grade
- C
- Quality
- 76 / 100
- Safety
- Passed
- GitHub stars
- 1,025
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.
Our review
- Architecture
- 91 / 100
- Maturity
- Structured: ships references or scripts
- Security scan
- No issues found
- License
- MIT
- Adoption
- Adopted by 0 other repositories, in 1 collections
- Scope
- Vendor-specific: built around one product. Using RDKit, RDChiral, mmpdb public cheminformatics libraries
Not checked yet
- Not judged on the rubric yet (not a contender in its category)
- No blind task eval yet
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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