zinc-database SKILL.md skillA
zinc-database from jaechang-hits/sciagent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add jaechang-hits/sciagent-skills/zinc-database@git:20260615.2df60d4Pins git:20260615.2df60d4 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- jaechang-hits/sciagent-skills
- Path
skills/structural-biology-drug-discovery/zinc-database/SKILL.md- Versions recorded
- 3
- Latest version
- git:20260615.2df60d4, committed Jun 15, 2026
- First version recorded
- Feb 18, 2026
- Size
- 21,195 bytes
- Repository stars
- 381
- License
- a license file GitHub does not identify
Query the ZINC22 virtual compound library (CartBlanche API, billions of make-on-demand + purchasable molecules). Look up substances by ZINC ID, resolve a SMILES to its ZINC ID (exact match), inspect purchasability/catalogs, and assemble compound sets for docking. Property (MW/logP) filtering is done locally with RDKit. For bioactivity use chembl-database-bioactivity; for approved drugs use drugbank-database-access.
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
What the file says
# ZINC Chemical Library Database (ZINC22 / CartBlanche)
## Overview
ZINC (ZINC Is Not Commercial) is a free database of commercially available compounds curated for virtual screening. The current generation, **ZINC22**, holds billions of make-on-demand and in-stock molecules and is served through the **CartBlanche** web application at `cartblanche22.docking.org`. CartBlanche exposes a small JSON API to look up substances by ZINC ID, resolve a SMILES to its ZINC identifier, and inspect supplier/catalog purchasability.
> **Important — the old ZINC15 REST API no longer works for automated access.**
> `zinc15.docking.org` (and `zinc.docking.org`) now sits behind a site-wide CAPTCHA: every request to `/substances.json`, `/tranches/...`, `/substances/{id}.json`, etc. is redirected to a `/captcha/` page or returns `403 Forbidden`. Any script using the `mwt__gte` / `availability` / `similarity` query parameters against `zinc15.docking.org` will fail. Use the ZINC22 CartBlanche endpoints documented below instead.
Three things about ZINC22/CartBlanche that change how you use this skill:
…Read the whole file at its exact version.
How to install
mdr add jaechang-hits/sciagent-skills/zinc-database@sha256:4ae8f9991a60a195The line at the top of this page pins the label git:20260615.2df60d4, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
[](https://markdownregistry.com/a/art_as7gdy64t4wf3awf)
1 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 3 versions of this file, between Feb 18, 2026 and Jun 15, 2026, about one every 58 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| git:20260615.2df60d4 latest | 2026-06-15 | 2df60d4 | 21,195 B | A | view · diff |
| git:20260428.81ea2d2 | 2026-04-28 | 81ea2d2 | 14,826 B | A | view · diff |
| git:20260218.8df1694 | 2026-02-18 | 8df1694 | 14,973 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (21195 bytes)
- pass: No zero-width or bidi control characters
- pass: No instruction hidden inside an HTML comment
- pass: No link to an exfiltration or paste host
- pass: No credential-shaped string
- pass: No instruction to send local credentials anywhere
- pass: No text hidden with inline styles
- pass: No prompt-injection phrasing
- pass: No curl or wget piped into a shell
- pass: No recursive delete of root, home or parent
- pass: No instruction to read or print local credentials
- pass: No base64 blob over 200 characters
- pass: No link to a raw IP address
- pass: No script tag
Source
jaechang-hits/sciagent-skills · 381 stars · license a license file GitHub does not identify · pushed 2026-10-16 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_as7gdy64t4wf3awf GET https://markdownregistry.com/api/v1/resolve?ref=jaechang-hits/sciagent-skills/zinc-database GET https://markdownregistry.com/api/v1/blob/4ae8f9991a60a19588da5880adfba00f6c6fead3583e14ce40daa99825817d65
Your AI assistant does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.
Guides: the SKILL.md format and its required fields · what to check before you install a skill · how to pin a skill to an exact version · where to find agent skills · keeping a team on the same skills · which agent file does what.