zinc-database
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.
npx skills add majiayu000/claude-skill-registry --skill zinc-database-davila7-claude-code-template --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 Database ## Overview ZINC is a freely accessible repository of 230M+ purchasable compounds maintained by UCSF. Search by ZINC ID or SMILES, perform similarity searches, download 3D-ready structures for docking, discover analogs for virtual screening and drug discovery. ## When to Use This Skill This skill should be used when: - **Virtual screening**: Finding compounds for molecular docking studies - **Lead discovery**: Identifying commercially-available compounds for drug development - **Structure searches**: Performing similarity or analog searches by SMILES - **Compound retrieval**: Looking up molecules by ZINC IDs or supplier codes - **Chemical space exploration**: Exploring purchasable chemical diversity - **Docking studies**: Accessing 3D-ready molecular structures - **Analog searches**: Finding similar compounds based on structural similarity - **Supplier queries**: Identifying compounds from specific chemical vendors - **Random sampling**: Obtaining random compound sets for screening ## Database Versions ZINC has evolved through multiple versions: - **ZINC22** (Current): Largest version with 230+ million purchasable compounds and multi-billion scale make-on-demand com
- Overview
- When to Use This Skill
- Database Versions
- Access Methods
- Web Interface
- API Access
- Core Capabilities
- 1. Search by ZINC ID
- 2. Search by SMILES
- 3. Search by Supplier Codes
- 4. Random Compound Sampling
- Common Workflows
- Workflow 1: Preparing a Docking Library
- Workflow 2: Finding Analogs of a Hit Compound
curl "https://cartblanche22.docking.org/[email protected]_fields=smiles,zinc_id" curl "https://cartblanche22.docking.org/substances.txt:zinc_id=ZINC000000000001,ZINC000000000002&output_fields=smiles,zinc_id,tranche" curl "https://cartblanche22.docking.org/[email protected]=4-Fadist=4" curl "https://cartblanche22.docking.org/smiles.txt:smiles=c1ccccc1" curl "https://cartblanche22.docking.org/smiles.txt:smiles=c1ccccc1&dist=3&output_fields=zinc_id,smiles,tranche" curl "https://cartblanche22.docking.org/catitems.txt:catitem_id=SUPPLIER-CODE-123" curl "https://cartblanche22.docking.org/substance/random.txt:count=100" curl "https://cartblanche22.docking.org/substance/random.txt:count=1000&subset=lead-like&output_fields=zinc_id,smiles,tranche" curl "https://cartblanche22.docking.org/substance/random.txt:count=10000&subset=drug-like&output_fields=zinc_id,smiles,tranche" > docking_library.txt curl "https://cartblanche22.docking.org/smiles.txt:smiles=CC(C)Cc1ccc(cc1)C(C)C(=O)O&dist=5&output_fields=zinc_id,smiles,catalogs" > analogs.txt
What does the zinc-database skill do?
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.
How do I install it?
Run `npx skills add majiayu000/claude-skill-registry --skill zinc-database-davila7-claude-code-template --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 majiayu000/claude-skill-registry, a repository with 534 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.