zinc-database

zinc-database is a skill for Claude Code, Codex from synthetic-sciences/openscience. It costs 47 tokens per session (3,524 once invoked), scanned A, original, Apache-2.0.

A connection to ZINC, a database of purchasable chemical compounds with searchable structures and docking-ready 3D files.

In plain words
What is it for?
Use it for virtual screening, molecular docking, similarity and analog searches, compound lookup, supplier searches, and drug-discovery research.
Why use it?
It avoids manually finding commercially available compounds and preparing their structures for screening. It helps researchers search chemical space by structure or identifier.

Skill for Claude CodeCodex

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

Good fit Use it for virtual screening, molecular docking, similarity and analog searches, compound lookup, supplier searches, and drug-discovery research.

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Install with agentmods
npx agentmods add skills/synthetic-sciences/openscience/zinc-database
About the project

synthetic-sciences/openscience is an AI workbench that carries out scientific research by reading papers, forming hypotheses, writing and running code, conducting experiments, analyzing results, and preparing reports. Researchers use it for work in machine learning, biology, physics, and chemistry with remote or local models. Catalogue add-ons extend its scientific workflows through skills and instructions.

synthetic-sciences/openscience · 3,501 stars · on GitHub · openscience.sh

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 synthetic-sciences/openscience --skill zinc-database
Clone the repo
git clone --depth 1 https://github.com/synthetic-sciences/openscience

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/synthetic-sciences/openscience/zinc-database.svg)](https://agentmods.dev/skills/synthetic-sciences/openscience/zinc-database)
Your own site
<a href="https://agentmods.dev/skills/synthetic-sciences/openscience/zinc-database"><img src="https://agentmods.dev/badge/skills/synthetic-sciences/openscience/zinc-database.svg" alt="Measured on agentmods" 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 3,524 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. Third-party audits
  • NVIDIA SkillSpector pass 7 Sept 2026
How audits are shown
Origin original No closer match found 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 $0.03524
Opus 5 $0.00023 $0.01762
Sonnet 5 $0.00009 $0.00705
Haiku 4.5 $0.00005 $0.00352

Measured 4d ago against content hash 3834d2f8c9fd, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-07, 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 4d 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

Copies of this mod

2 near-identical copies found in the catalogue:

backend/cli/skills/databases/zinc-database/SKILL.md · 404 lines

How it starts

The opening of the file, as written. The whole thing — 404 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 · 404 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. 4d ago First seen · 404 lines · 47 tokens per session scan A 3834d2f8c9fd

Subscribe to this mod's changes

zinc-database is a skill published in the GitHub repository synthetic-sciences/openscience (3,501 stars, last pushed today), licensed Apache-2.0. It adds 47 tokens to every session and 3,524 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). No closer match exists in the catalogue, so it is treated as the original; first seen 2026-09-03.