What is alterlab-cheminformatics?

A collection of tools for analysing chemical structures, medicines, and laboratory measurements. It includes molecular modelling, drug docking, drug-safety prediction, and mass-spectrometry analysis.

Use it to inspect and transform molecules, search for drug candidates, predict drug properties and safety, simulate molecular behaviour, and analyse mass-spectrometry results.

It brings common chemistry and drug-discovery tasks together, reducing the need to assemble separate workflows for molecules, compounds, and experimental data.

alterlab-cheminformatics — Plugin for Claude Code by AlterLab-IEU

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.

Clone the repo

git clone --depth 1 https://github.com/AlterLab-IEU/AlterLab-Academic-Skills

Made for: Claude Code.

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.

README.md

[![agentmods](https://agentmods.dev/badge/plugins/alterlab-ieu/alterlab-academic-skills/alterlab-cheminformatics.svg)](https://agentmods.dev/plugins/alterlab-ieu/alterlab-academic-skills/alterlab-cheminformatics)

Your own site

<a href="https://agentmods.dev/plugins/alterlab-ieu/alterlab-academic-skills/alterlab-cheminformatics"><img src="https://agentmods.dev/badge/plugins/alterlab-ieu/alterlab-academic-skills/alterlab-cheminformatics.svg" alt="Measured on agentmods" height="20"></a>

Per session not measured What this adds to a session before it is invoked.

When invoked not measured The manifest loads nothing itself; its 12 skills cost 1,305 tokens a session between them.

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.

Security

Grade A, and why

alterlab-cheminformatics 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 3d 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.

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.

.claude-plugin/marketplace.json#alterlab-cheminformatics · 35 lines

What it actually says

{
  "name": "alterlab-cheminformatics",
  "source": "./skills/cheminformatics",
  "description": "Chemistry and drug discovery (RDKit, docking, ADMET, mass spec) (12 skills)",
  "version": "2.6.1",
  "author": {
    "name": "AlterLab @ Izmir University of Economics",
    "url": "https://github.com/AlterLab-IEU"
  },
  "homepage": "https://github.com/AlterLab-IEU/AlterLab-Academic-Skills",
  "license": "MIT",
  "category": "science",
  "keywords": [
    "chemistry",
    "drug-discovery",
    "rdkit",
    "docking",
    "admet"
  ],
  "strict": false,
  "skills": [
    "./alterlab-datamol",
    "./alterlab-deepchem",
    "./alterlab-diffdock",
    "./alterlab-matchms",
    "./alterlab-medchem",
    "./alterlab-molecular-dynamics",
    "./alterlab-molfeat",
    "./alterlab-primekg",
    "./alterlab-pytdc",
    "./alterlab-rdkit",
    "./alterlab-rowan",
    "./alterlab-torchdrug"
  ]
}

Contents

What it installs

The manifest is a name and a version. 12 skills travel with it, and installing the plugin installs all of them — 1,305 tokens a session between them. Each is measured on its own page, and each can be installed alone.

Files

What ships with it

1 file beside marketplace.json#alterlab-cheminformatics 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.

marketplace.json 21 KB

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.

3d ago First seen · 35 lines scan A 78366646474c

Subscribe to this mod's changes

alterlab-cheminformatics is a plugin published in the GitHub repository AlterLab-IEU/AlterLab-Academic-Skills (64 stars, last pushed 2d ago), licensed MIT. Its token cost is not measured: this kind of file is read by the harness, not the model. 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 2026-09-03.

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alterlab-cheminformatics

Getting it into your agent

Wrote this? Show the measurements

Grade A, and why

Nothing flagged

What it actually says

What it installs

What ships with it

What this file has done since we first saw it

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