zinc-database

zinc-database is a skill for Claude Code, Codex from LeonChaoX/qinyan-academic-skills. It costs 47 tokens per session (3,522 once invoked), scanned A, a copy of zinc-database, MIT.

A connection to ZINC, a public catalogue of purchasable chemical compounds. It supports structure searches and provides 3D-ready molecules for computer-based docking studies.

In plain words
What is it for?
Use it for virtual screening, molecular docking, lead discovery, similarity searches, analog finding, and supplier-specific compound searches.
Why use it?
It helps researchers find commercially available molecules and suitable structural alternatives without checking suppliers one by one.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it for virtual screening, molecular docking, lead discovery, similarity searches, analog finding, and supplier-specific compound searches.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/leonchaox/qinyan-academic-skills/zinc-database
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add LeonChaoX/qinyan-academic-skills --skill zinc-database
Clone the repo
git clone --depth 1 https://github.com/LeonChaoX/qinyan-academic-skills

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for zinc-database

README.md
[![agentmods](https://agentmods.dev/badge/skills/leonchaox/qinyan-academic-skills/zinc-database/github.svg)](https://agentmods.dev/skills/leonchaox/qinyan-academic-skills/zinc-database)
Your own site
<a href="https://agentmods.dev/skills/leonchaox/qinyan-academic-skills/zinc-database"><img src="https://agentmods.dev/badge/skills/leonchaox/qinyan-academic-skills/zinc-database/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for zinc-database

Your own site · 80×15
<a href="https://agentmods.dev/skills/leonchaox/qinyan-academic-skills/zinc-database"><img src="https://agentmods.dev/badge/skills/leonchaox/qinyan-academic-skills/zinc-database.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 47 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 3,522 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 2 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin 95% copy Near-identical to another mod in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00047 $0.03522
Opus 5 $0.00023 $0.01761
Sonnet 5 $0.00009 $0.00704
Haiku 4.5 $0.00005 $0.00352

Measured 7d ago against content hash e097b573b1ab, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-11, from the pricing page.

Security

Grade A, and why

zinc-database scanned grade A with 2 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 7d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Makes network callslowCapability

Not a fault in itself. Listed so you know the mod talks to something, and to what.

curl "https://cartblanche22.docking.org/[email protected]_fields=smiles,zinc_id"

Runs shell commandslowCapability

Expected in a hook, worth knowing in a rule or an instructions file.

result = subprocess.run(['curl', url], capture_output=True, text=True)
Origin

This is a copy

95% identical to zinc-database — 3 lines differ, which has more behind it and is treated as the original. This page carries a canonical link to it rather than competing with it.

skills/12-科学数据库/zinc-database/SKILL.md · 403 lines

How it starts

The opening of the file, as written. The whole thing — 403 lines — stays where its author put it; the contents beside it link to each section on GitHub.

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 compounds
  • ZINC20: Still maintained, focused on lead-like and drug-like compounds
  • ZINC15: Predecessor version, legacy but still documented

This skill primarily focuses on ZINC22, the most current and comprehensive version.

Access Methods

Web Interface

Primary access point: https://zinc.docking.org/ Interactive searching: https://cartblanche22.docking.org/

API Access

All ZINC22 searches can be performed programmatically via the CartBlanche22 API:

Base URL: https://cartblanche22.docking.org/

All API endpoints return data in text or JSON format with customizable fields.

Core Capabilities

1. Search by ZINC ID

Retrieve specific compounds using their ZINC identifiers.

Web interface: https://cartblanche22.docking.org/search/zincid

API endpoint:

curl "https://cartblanche22.docking.org/[email protected]_fields=smiles,zinc_id"

Read the full file on GitHub · 403 lines

Files

What ships with it

1 file beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 7d ago First seen · 403 lines · 47 tokens per session scan A e097b573b1ab

Subscribe to this mod's changes

zinc-database is a skill published in the GitHub repository LeonChaoX/qinyan-academic-skills (880 stars, last pushed 1mo ago), licensed MIT. It adds 47 tokens to every session and 3,522 once invoked, about $0.0002 per session on Opus 5. A static security scan graded it A with 2 findings (makes network calls, runs shell commands). It is 95% identical to zinc-database, differing in 3 lines, and is treated as a copy.

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