chembl-molecule-search

chembl-molecule-search is a skill for Claude Code, Codex from ma-compbio-lab/SkillFoundry. It costs 37 tokens per session (541 once invoked), scanned A, original, Apache-2.0.

A tool for looking up molecules in ChEMBL, a public database of drug and drug-like compounds. It returns compact summaries such as names, identifiers, development stages, structures, and selected properties.

In plain words
What is it for?
Use it to find a ChEMBL identifier and basic compound details before further cheminformatics or screening work. It is not for local calculations, docking, bulk exports, or offline use.
Why use it?
It provides a quick starting point for checking a known molecule without manually searching the database or starting a larger chemistry workflow.

Skill for Claude CodeCodex

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

Good fit Use it to find a ChEMBL identifier and basic compound details before further cheminformatics or screening work. It is not for local calculations, docking, bulk exports, or offline use.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/ma-compbio-lab/skillfoundry/chembl-molecule-search
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 ma-compbio-lab/SkillFoundry --skill chembl-molecule-search
Clone the repo
git clone --depth 1 https://github.com/ma-compbio-lab/SkillFoundry

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 chembl-molecule-search

README.md
[![agentmods](https://agentmods.dev/badge/skills/ma-compbio-lab/skillfoundry/chembl-molecule-search/github.svg)](https://agentmods.dev/skills/ma-compbio-lab/skillfoundry/chembl-molecule-search)
Your own site
<a href="https://agentmods.dev/skills/ma-compbio-lab/skillfoundry/chembl-molecule-search"><img src="https://agentmods.dev/badge/skills/ma-compbio-lab/skillfoundry/chembl-molecule-search/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 chembl-molecule-search

Your own site · 80×15
<a href="https://agentmods.dev/skills/ma-compbio-lab/skillfoundry/chembl-molecule-search"><img src="https://agentmods.dev/badge/skills/ma-compbio-lab/skillfoundry/chembl-molecule-search.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 37 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 541 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
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 $0.00037 $0.00541
Opus 5 $0.00018 $0.00270
Sonnet 5 $0.00007 $0.00108
Haiku 4.5 $0.00004 $0.00054

Measured 9d ago against content hash 6544fd8a2ab0, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-09, from the pricing page.

Security

Grade A, and why

chembl-molecule-search scanned grade A with 0 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 9d ago.

The scan reads SKILL.md. This mod also ships 2 executable files (scripts/search_chembl_molecules.py, tests/test_chembl_molecule_search.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

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.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

skills/drug-discovery-and-cheminformatics/chembl-molecule-search/SKILL.md · 57 lines

How it starts

The opening of the file, as written. The whole thing — 57 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Purpose

Search ChEMBL by free-text query and return compact compound summaries suitable for quick cheminformatics triage.

When to use

  • You need a ChEMBL identifier and basic compound summary for a known drug or molecule name.
  • You want a lightweight compound lookup before deeper cheminformatics or screening workflows.

When not to use

  • You need local descriptor calculation or docking.
  • You need bulk export of a large ChEMBL slice.
  • You need offline execution.

Inputs

  • Query string
  • Optional result limit and output path

Outputs

  • JSON payload with query metadata and compact molecule summaries

Requirements

  • Python 3.10+
  • Network access to www.ebi.ac.uk

Procedure

  1. Run python3 skills/drug-discovery-and-cheminformatics/chembl-molecule-search/scripts/search_chembl_molecules.py --query imatinib --limit 1 --out skills/drug-discovery-and-cheminformatics/chembl-molecule-search/assets/chembl_imatinib.json.
  2. Inspect molecules for chembl_id, preferred_name, molecule_type, max_phase, canonical_smiles, and selected properties.
  3. Use the returned ChEMBL IDs in downstream compound-knowledge workflows when needed.

Validation

  • Command exits successfully.
  • molecules contains at least one ChEMBL result for a known query.
  • The first result has a non-empty chembl_id and molecule summary fields.

Failure modes and fixes

  • No hits: refine the query or use a more canonical drug name.
  • Too many hits: lower --limit and inspect the top results manually.
  • HTTP errors: retry later and keep the query simple for smoke verification.

Safety and limits

  • Knowledge lookup only.
  • This skill does not perform synthesis planning, structure optimization, or wet-lab decision making.

Example

  • python3 skills/drug-discovery-and-cheminformatics/chembl-molecule-search/scripts/search_chembl_molecules.py --query imatinib --limit 1

Provenance

Read the full file on GitHub · 57 lines

Files

What ships with it

9 files 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. 9d ago First seen · 57 lines · 37 tokens per session scan A 6544fd8a2ab0

Subscribe to this mod's changes

chembl-molecule-search is a skill published in the GitHub repository ma-compbio-lab/SkillFoundry (38 stars, last pushed 4mo ago), licensed Apache-2.0. It adds 37 tokens to every session and 541 once invoked, about $0.0002 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

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