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Zinc Database

davila7/claude-code-templates

Gives you programmatic access to ZINC's 230+ million purchasable compounds through the CartBlanche22 API. You can search by ZINC ID, run similarity searches with SMILES strings and distance thresholds, pull random compound sets filtered by drug-like or lead-like properties, and grab supplier codes for ordering. The tranche system encodes molecular properties directly in the identifier (H-bond donors, LogP, molecular weight), which is handy for quick filtering. Most useful when you're building docking libraries, hunting for analogs of a hit compound, or need to verify what's actually commercially available before you waste time on virtual screening. The API returns tab-delimited text or JSON, so it's straightforward to pipe into your existing cheminformatics workflow.

skills.sh installs
215
GitHub stars
33.2K
last updated
Aug 21, 2026
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Install

$ npx -y skills add davila7/claude-code-templates --skill zinc-database --agent claude-code

Installs into .claude/skills of the current project.

Files

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:

SKILL.md on GitHub

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Details

Repository
github.com/davila7/claude-code-templates
Categories
Backend & APIs, Sales & Marketing, Databases
First seen
Jun 3, 2026

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