datamol

datamol is a skill for Claude Code, Codex from MarieLynneBlock/arcanum-artifex. It costs 67 tokens per session (5,128 once invoked), scanned A, original, no licence file.

A Python wrapper around RDKit, a chemistry toolkit, that simplifies common molecule-processing tasks and returns RDKit molecule objects.

In plain words
What is it for?
Use it to parse and standardise SMILES, calculate descriptors and fingerprints, cluster molecules, create 3D conformers, and process compounds in parallel.
Why use it?
It reduces the amount of chemistry-specific code needed for routine drug-discovery data preparation and analysis.

Skill for Claude CodeCodex

Which agent this was written for is unclear — body not stored (licence); the path alone says nothing.

Good fit Use it to parse and standardise SMILES, calculate descriptors and fingerprints, cluster molecules, create 3D conformers, and process compounds in parallel.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/marielynneblock/arcanum-artifex/datamol
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 MarieLynneBlock/arcanum-artifex --skill datamol
Clone the repo
git clone --depth 1 https://github.com/MarieLynneBlock/arcanum-artifex

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 datamol

README.md
[![agentmods](https://agentmods.dev/badge/skills/marielynneblock/arcanum-artifex/datamol/github.svg)](https://agentmods.dev/skills/marielynneblock/arcanum-artifex/datamol)
Your own site
<a href="https://agentmods.dev/skills/marielynneblock/arcanum-artifex/datamol"><img src="https://agentmods.dev/badge/skills/marielynneblock/arcanum-artifex/datamol/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 datamol

Your own site · 80×15
<a href="https://agentmods.dev/skills/marielynneblock/arcanum-artifex/datamol"><img src="https://agentmods.dev/badge/skills/marielynneblock/arcanum-artifex/datamol.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 67 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 5,128 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 unknown 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 $0.00067 $0.05128
Opus 5 $0.00034 $0.02564
Sonnet 5 $0.00013 $0.01026
Haiku 4.5 $0.00007 $0.00513

Measured 10d ago against content hash 805d3223d241, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-13, from the pricing page.

Security

Grade A, and why

datamol 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 10d 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.

skills/scientific/datamol/SKILL.md · 704 lines

The source is not reproduced here

No licence file

A repository with no LICENSE is all rights reserved by default, so the body is not copied here. The metadata, the measurements and the link are.

Read it on GitHub

Files

What ships with it

6 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. 10d ago First seen · 704 lines · 67 tokens per session scan A 805d3223d241

Subscribe to this mod's changes

datamol is a skill published in the GitHub repository MarieLynneBlock/arcanum-artifex (4 stars, last pushed 8d ago), with no licence file. It adds 67 tokens to every session and 5,128 once invoked, about $0.0003 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 2026-09-03.