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zinc-database

8.3

by K-Dense-AI

67Favorites
444Upvotes
0Downvotes

Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.

chemistry

8.3

Rating

0

Installs

Data & Analytics

Category

Quick Review

Exceptional skill for accessing ZINC's 230M+ compound database. The description clearly communicates core capabilities (ZINC ID/SMILES search, similarity searches, 3D structures). Task knowledge is comprehensive with concrete API endpoints, curl examples, Python integration code, and four complete workflows covering docking libraries, analog discovery, batch retrieval, and chemical space sampling. Structure is well-organized with clear sections, appropriate detail levels, and a referenced API document for advanced usage. Novelty is high: accessing specialized cheminformatics databases via API with proper parameter handling (Tanimoto distance, tranche filtering, output field customization) would require significant tokens and domain expertise for a CLI agent to construct from scratch. Minor room for improvement in making the initial description even more explicit about API vs web interface access modes.

LLM Signals

Description coverage9
Task knowledge10
Structure9
Novelty9

GitHub Signals

6,871
818
49
3
Last commit 1 days ago

Publisher

K-Dense-AI

K-Dense-AI

Skill Author

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