Agent skill

Chembl Search

by wu-yc in wu-yc/LabClaw

Search ChEMBL bioactive molecules database with natural language queries.

MITAuto-check passedResearch & Science

Install Chembl Search

skills CLI
$ npx skills add wu-yc/LabClaw --skill chembl-search -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install wu-yc/LabClaw chembl-search --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/wu-yc/LabClaw.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/pharma/chembl-search .claude/skills/chembl-search && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
chembl-search
GitHub stars
1.1k
Used in
2 other repos
Token cost
~1.2k tokens
SKILL.md length
314 words
Files
1
Skills in repo
68
Repo updated
First seen
Licence
MIT

At a glance

Search ChEMBL bioactive molecules database with natural language queries.

  • Works in 2 steps: Node.js 18+ (uses built-in fetch) → Valyu API key from…
  • Tasks that involve Drug discovery and cheminformatics
  • SKILL.md covers Why This Skill is Powerful, Requirements, CRITICAL: Script Path Resolution and API Key Setup Flow, plus 8 more sections
  • Calls jq; reaches api.valyu.ai and chembl.org

What it does

Chembl Search is an agent skill from wu-yc/LabClaw. Search ChEMBL bioactive molecules database with natural language queries. Find compounds and assay data with Valyu semantic search.

Its SKILL.md is about 1.2k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

It sits in Research & Science, covering Drug discovery and cheminformatics. The repository describes itself as: LabClaw – Operating Layer for LabOS (Stanford-Princeton AI Co-Scientists). The licence is MIT.

When your agent uses it

  • Tasks that involve Drug discovery and cheminformatics

Example prompts

  • “/chembl-search”

Requirements

  • Python 3
  • Node.js

Workflow steps

2 steps, taken from the first numbered list in SKILL.md.

  1. Node.js 18+ (uses built-in fetch)
  2. Valyu API key from https://platform.valyu.ai ($10 free credits)

What it can do on your machine

Read from SKILL.md and the folder at commit df37802. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    Shell commands in SKILL.md call:

    • jq

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    Hosts in commands or code, which the agent is likely to contact:

    • api.valyu.ai
    • chembl.org

    Also links to:

    • platform.valyu.ai
    • docs.valyu.ai

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names no API keys, tokens, secrets or passwords.

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Chembl Search loads about 1.2k tokens when it runs. Until then it costs about 36 tokens; SKILL.md has 314 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~36
When it runs · the whole SKILL.md, loaded when a task matches
~1.2k

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.

SKILL.md

The full file from wu-yc/LabClaw at commit df37802, republished under its MIT licence (© wu-yc). 314 words, ~1,245 tokens.

Download SKILL.mdSave it as .claude/skills/chembl-search/SKILL.md (or your agent's skills folder).
name
chembl-search
description
Search ChEMBL bioactive molecules database with natural language queries. Find compounds and assay data with Valyu semantic search.
keywords
chembl, drug-discovery, bioactive-compounds, molecular-database, hit-identification, semantic-search
license
MIT

Search the complete ChEMBL database of bioactive molecules, drug targets, and binding data using natural language queries powered by Valyu's semantic search API.

Why This Skill is Powerful

  • No API Parameter Parsing: Just pass natural language queries directly - no need to construct complex search parameters
  • Semantic Search: Understands the meaning of your query, not just keyword matching
  • Full-Text Access: Returns complete compound and target information
  • Image Links: Includes molecular structures and data visualizations
  • Comprehensive Coverage: Access to all ChEMBL bioactive molecule data for drug discovery

Requirements

  1. Node.js 18+ (uses built-in fetch)
  2. Valyu API key from https://platform.valyu.ai ($10 free credits)

CRITICAL: Script Path Resolution

The scripts/search commands in this documentation are relative to this skill's installation directory.

Before running any command, locate the script using:

bash
CHEMBL_SCRIPT=$(find ~/.claude/plugins/cache -name "search" -path "*/chembl-search/*/scripts/*" -type f 2>/dev/null | head -1)

Then use the full path for all commands:

bash
$CHEMBL_SCRIPT "kinase inhibitors" 15

API Key Setup Flow

When you run a search and receive "setup_required": true, follow this flow:

  1. Ask the user for their API key: "To search ChEMBL, I need your Valyu API key. Get one free ($10 credits) at https://platform.valyu.ai"

  2. Once the user provides the key, run:

    bash
    scripts/search setup <api-key>
  3. Retry the original search.

When to Use This Skill

  • Finding bioactive compounds for drug discovery
  • Target-based compound searching
  • Compound property optimization
  • Assay data and biological activity research
  • Structure-activity relationship studies
  • Lead compound identification

Output Format

json
{
  "success": true,
  "type": "chembl_search",
  "query": "kinase inhibitors",
  "result_count": 10,
  "results": [
    {
      "title": "Compound/Assay Title",
      "url": "https://chembl.org/...",
      "content": "Compound data, targets, assay results...",
      "source": "chembl",
      "relevance_score": 0.95,
      "images": ["https://example.com/structure.png"]
    }
  ],
  "cost": 0.025
}

Processing Results

With jq
bash
# Get compound titles
scripts/search "query" 10 | jq -r '.results[].title'

# Get URLs
scripts/search "query" 10 | jq -r '.results[].url'

# Extract full content
scripts/search "query" 10 | jq -r '.results[].content'

Common Use Cases

Drug Discovery
bash
# Find lead compounds
scripts/search "JAK2 selective inhibitors for myelofibrosis" 50
Target Validation
bash
# Search for target information
scripts/search "protein kinase B binding assays" 20
SAR Analysis
bash
# Find structure-activity relationships
scripts/search "benzimidazole derivatives anticancer activity" 15
Mechanism Research
bash
# Search for mechanism data
scripts/search "allosteric modulators of NMDA receptors" 25

Error Handling

All commands return JSON with success field:

json
{
  "success": false,
  "error": "Error message"
}

Exit codes:

  • 0 - Success
  • 1 - Error (check JSON for details)

API Endpoint

  • Base URL: https://api.valyu.ai/v1
  • Endpoint: /search
  • Authentication: X-API-Key header

Architecture

scripts/
├── search          # Bash wrapper
└── search.mjs      # Node.js CLI

Direct API calls using Node.js built-in fetch(), zero external dependencies.

Adding to Your Project

If you're building an AI project and want to integrate ChEMBL Search directly into your application, use the Valyu SDK:

Python Integration
python
from valyu import Valyu

client = Valyu(api_key="your-api-key")

response = client.search(
    query="your search query here",
    included_sources=["valyu/valyu-chembl"],
    max_results=20
)

for result in response["results"]:
    print(f"Title: {result['title']}")
    print(f"URL: {result['url']}")
    print(f"Content: {result['content'][:500]}...")
TypeScript Integration
typescript
import { Valyu } from "valyu-js";

const client = new Valyu("your-api-key");

const response = await client.search({
  query: "your search query here",
  includedSources: ["valyu/valyu-chembl"],
  maxResults: 20
});

response.results.forEach((result) => {
  console.log(`Title: ${result.title}`);
  console.log(`URL: ${result.url}`);
  console.log(`Content: ${result.content.substring(0, 500)}...`);
});

See the Valyu docs for full integration examples and SDK reference.

© wu-yc, MIT. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

Just SKILL.md in skills/pharma/chembl-search of wu-yc/LabClaw.

Open the folder on GitHubat commit df37802

Used in 2 other repositories

We found 2 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 2 other GitHub owners. This page covers the copy in wu-yc/LabClaw, which our catalogue first saw on October 9, 2026.

Compare with similar skills

Chembl Search next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Chembl Search compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Chembl Search this skillwu-yc/LabClaw1.1k2 repos~1.2kAutomated safety check: PassMIT
MolecodeAtomFlow-AI/MoleCode306—~1.9kAutomated safety check: PassMIT
Drug DiscoveryTommy-yw/RunbookHermes5461 repos~2.3kAutomated safety check: PassMIT
DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills48k1 repos~3kAutomated safety check: NotesMIT
Biomedical Analysis Dispatchxjtulyc/MedgeClaw6171 repos~2kAutomated safety check: PassNone
Biopipelineslocbp-uzh/biopipelines109—~2.4kAutomated safety check: PassMIT

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Questions about Chembl Search

What does Chembl Search do?

Search ChEMBL bioactive molecules database with natural language queries. Chembl Search is an agent skill from wu-yc/LabClaw. Search ChEMBL bioactive molecules database with natural language queries.

When should I use Chembl Search?

Chembl Search fits situations like: tasks that involve Drug discovery and cheminformatics.

How do I install Chembl Search in Claude Code?

Run `npx skills add wu-yc/LabClaw --skill chembl-search -a claude-code`. Or copy the skill folder (skills/pharma/chembl-search in wu-yc/LabClaw) into .claude/skills/chembl-search in your project. Claude Code loads it when a task matches its description.

How do I install Chembl Search in Codex?

Run `npx skills add wu-yc/LabClaw --skill chembl-search -a codex`. Or copy the skill folder (skills/pharma/chembl-search in wu-yc/LabClaw) into .agents/skills/chembl-search in your project. Codex loads it when a task matches its description.

Can I use Chembl Search in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add wu-yc/LabClaw --skill chembl-search -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/chembl-search, .gemini/skills/chembl-search, .github/skills/chembl-search and .opencode/skills/chembl-search in your project.

What does Chembl Search need to run?

Going by SKILL.md and its folder, Chembl Search needs the command-line tools its instructions call (jq). Our summary lists: Python 3; Node.js.

Does Chembl Search access the network?

SKILL.md names 4 domains. In commands or code: api.valyu.ai and chembl.org; the agent is likely to contact these when it follows the instructions. As links in the text: platform.valyu.ai and docs.valyu.ai. This is read from the text; nothing was executed.

Is Chembl Search safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.

What licence does Chembl Search use?

Chembl Search is published under the MIT licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Chembl Search use?

About 1.2k tokens (SKILL.md is roughly 5k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Chembl Search?

Skills that share tags, products or a category with Chembl Search: Molecode (AtomFlow-AI/MoleCode, 306 stars), Drug Discovery (Tommy-yw/RunbookHermes, 546 stars), DiffDock Molecular Docking (K-Dense-AI/scientific-agent-skills, 48k stars) and Biomedical Analysis Dispatch (xjtulyc/MedgeClaw, 617 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Chembl Search?

wu-yc (a GitHub user) maintains it in wu-yc/LabClaw, which has 1,055 GitHub stars. The repository holds 68 skills in this directory. The repository was last updated on March 19, 2026.

Source: wu-yc/LabClaw on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.