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pubchem-database

8.7

by davila7

131Favorites
402Upvotes
0Downvotes

Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.

cheminformatics

8.7

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Quick Review

Excellent cheminformatics skill with comprehensive coverage of PubChem database queries. The description is crystal clear for CLI invocation. Task knowledge is outstanding with complete code examples for all major operations (compound search, property retrieval, similarity/substructure searches, bioactivity queries, format conversion). Structure is very good with logical organization, though SKILL.md is quite long—however, this is acceptable given the complexity and the presence of helper scripts and references for deeper details. Novelty is strong: querying 110M+ compounds with similarity searches, bioactivity filtering, and batch property screening would require many tokens and API expertise from a CLI agent alone. Minor improvement possible by making SKILL.md slightly more concise with more delegation to references, but overall this is a high-quality, production-ready skill.

LLM Signals

Description coverage10
Task knowledge10
Structure9
Novelty8

GitHub Signals

18,073
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Last commit 0 days ago

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davila7

davila7

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