bio-molecular-standardization
bio-molecular-standardization is a Chemistry & materials skill for AI agents, published by GPTomics in the bioSkills repository on GitHub. Skillspace rates bio-molecular-standardization B (80/100) and it passed the safety scan; the rating is based on static analysis only.
Standardizes molecular structures using the ChEMBL structure pipeline for normalization and parent selection plus RDKit rdMolStandardize for explicit custom steps such as tautomer canonicalization, salt/solvent stripping, charge handling, stereochemistry handling, mixture selection, and isotope normalization. Explicitly compares ChEMBL, canSARchem, RDKit, and PubChem standardization choices. Use when preparing libraries for QSAR training, joining datasets across sources, deduplicating compound collections, or building canonical compound registries.
- Grade
- B
- Quality
- 80 / 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
- 99 / 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. ChEMBL structure pipeline and RDKit rdMolStandardize usage
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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