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pubchem-database

8.3

by K-Dense-AI

63Favorites
366Upvotes
0Downvotes

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

cheminformatics

8.3

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0

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Data & Analytics

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Quick Review

Excellent comprehensive skill for PubChem cheminformatics querying. The description is crystal clear and actionable for CLI invocation. Task knowledge is outstanding with extensive code examples covering search, property retrieval, similarity/substructure searches, bioactivity queries, and common workflows. Structure is very good - SKILL.md provides detailed coverage while cleanly delegating specialized functions to helper scripts and comprehensive API details to references. The skill demonstrates strong novelty by providing a high-level interface to a complex 110M+ compound database with specialized cheminformatics operations (similarity searches, substructure matching, bioactivity data) that would be token-intensive and error-prone for a CLI agent to implement from scratch. Minor point: SKILL.md is quite detailed (could be slightly more concise), but this is appropriate given the complexity of the domain. Rate limiting guidance and error handling patterns add significant practical value.

LLM Signals

Description coverage10
Task knowledge10
Structure9
Novelty8

GitHub Signals

6,871
818
49
3
Last commit 1 days ago

Publisher

K-Dense-AI

K-Dense-AI

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