search-species SKILL.md skillA
search-species from jinzhezenggroup/computational-chemistry-agent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add jinzhezenggroup/computational-chemistry-agent-skills/search-species@v0.1.0Pins v0.1.0 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- jinzhezenggroup/computational-chemistry-agent-skills
- Path
tools/search-species/SKILL.md- Versions recorded
- 3
- Latest version
- v0.1.0, committed Mar 23, 2026
- First version recorded
- Mar 15, 2026
- Size
- 4,234 bytes
- Repository stars
- 156
- License
- LGPL-3.0
USE WHEN requesting core chemical structural data (SMILES, formula, mass, 2D images) via IUPAC, common, or multilingual names. You MUST actively retrieve the data using this skill; DO NOT hallucinate or generate structures yourself. DO NOT USE WHEN asking for physical properties (melting point, solubility), safety/toxicity data (MSDS), or synthesis pathways.
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
# Search Species ## 🔄 Core Workflow (CRITICAL) When assisting users with chemical searches, you **MUST** adhere to the following step-by-step workflow. **Note: Searching can be highly time-consuming; always prioritize efficiency.** 1. **Acquire Target**: Identify the chemical name, identifier, or SMILES the user wants to query. 1. **Select Engine**: Choose the most targeted search backend (`pubchem`, `opsin`, `wikidata`, or `all`) based on the query type. Avoid using `all` unless strictly necessary, to minimize search times. 1. **Execute Search**: Use the `search` command to query the database. You must set an appropriate `max_cands` limit to prevent excessively long processing times and reduce data noise. 1. **Evaluate Results**: Carefully review the returned summary data in the output. 1. **Confirm & Iterate**: Present the retrieved data to the user for confirmation. If the result is ambiguous or incorrect, communicate with the user to adjust the search keywords and restart the process. ______________________________________________________________________ ## Search Backend Overview …
Read the whole file at its exact version.
How to install
mdr add jinzhezenggroup/computational-chemistry-agent-skills/search-species@sha256:918eefd3c867635bThe line at the top of this page pins the label v0.1.0, 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_5injqxc6imzv54gh)
3 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 3 versions of this file, between Mar 15, 2026 and Mar 23, 2026, about one every 4 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v0.1.0 latest | 2026-03-23 | 622da72 | 4,234 B | A | view · diff |
| v0.1.0 | 2026-03-21 | 0fbe96d | 4,207 B | A | view · diff |
| v0.1.0 | 2026-03-15 | ccf8ce2 | 5,072 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 (4234 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
jinzhezenggroup/computational-chemistry-agent-skills · 156 stars · license LGPL-3.0 · pushed 2026-11-02 · branch master
API
GET https://markdownregistry.com/api/v1/artifacts/art_5injqxc6imzv54gh GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/search-species GET https://markdownregistry.com/api/v1/blob/918eefd3c867635b129805b4d909b6fd53c4acab31174e4a4796963294c9cf13
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.
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