zinc-database
Query ZINC15/ZINC22 virtual compound libraries (1.4B compounds, 750M purchasable). Search lead/fragment/drug-like compounds by MW, logP, reactivity, or SMILES similarity; download 3D sets for docking. For bioactivity use chembl-database-bioactivity; for approved drugs use drugbank-database-access.
npx skills add BioTender-max/awesome-bio-agent-skills --skill zinc-database --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
# ZINC Chemical Library Database ## Overview ZINC (ZINC Is Not Commercial) is a free database of commercially available compounds curated for virtual screening. ZINC22 contains over 1.4 billion compounds (ZINC20: 1.4B, including purchasable 3D conformers), organized by molecular property filters (lead-like, fragment-like, drug-like) and reactivity class. The REST API enables SMILES-based searches, property-filtered downloads, and compound subset exports for docking campaigns. ## When to Use - Downloading a purchasable, drug-like or lead-like compound library for virtual screening or docking campaigns - Filtering compounds by Lipinski/lead-like properties (MW, logP, HBD, HBA) to build focused screening sets - Searching ZINC for commercially available analogs of a query molecule via SMILES similarity - Retrieving purchasable fragments (MW < 300, logP < 3) for fragment-based drug discovery - Building compound diversity libraries for high-throughput screening (HTS) campaigns - For known drug bioactivity data use `chembl-database-bioactivity`; for approved drug structures use `drugbank-database-access`; for RDKit property calculation use `rdkit-cheminformatics` ## Prerequisites - **Pyth
- Overview
- When to Use
- Prerequisites
- Quick Start
- Core API
- Query 1: Property-Filtered Compound Search
- Query 2: Retrieve Compound by ZINC ID
- Query 3: Download Compound Subsets (Tranches)
- Query 4: SMILES Similarity Search
- Query 5: Catalog and Supplier Information
- Query 6: Bulk Download via ZINC Slices
- Key Concepts
- ZINC Tranches
- Availability Classes
pip install requests pandas
What does the zinc-database skill do?
Query ZINC15/ZINC22 virtual compound libraries (1.4B compounds, 750M purchasable). Search lead/fragment/drug-like compounds by MW, logP, reactivity, or SMILES similarity; download 3D sets for docking. For bioactivity use chembl-database-bioactivity; for approved drugs use drugbank-database-access.
How do I install it?
Run `npx skills add BioTender-max/awesome-bio-agent-skills --skill zinc-database --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From BioTender-max/awesome-bio-agent-skills, a repository with 135 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.