rdkit SKILL.md skillA
rdkit from foryourhealth111-pixel/vibe-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add foryourhealth111-pixel/vibe-skills/rdkit@git:20260430.784fe8bPins git:20260430.784fe8b in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- foryourhealth111-pixel/vibe-skills
- Path
bundled/skills/rdkit/SKILL.md- Versions recorded
- 2
- Latest version
- git:20260430.784fe8b, committed Apr 30, 2026
- First version recorded
- Feb 26, 2026
- Size
- 19,829 bytes
- Repository stars
- 3,805
- License
- Apache-2.0
Core cheminformatics toolkit for SMILES/SDF/InChI parsing, descriptors (MW, LogP, TPSA), fingerprints, ECFP/Morgan fingerprints, substructure search, 2D/3D generation, similarity, reactions, and datamol-style molecule standardization when no separate wrapper skill is routed.
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
# RDKit Cheminformatics Toolkit
## Overview
RDKit is a comprehensive cheminformatics library providing Python APIs for molecular analysis and manipulation. This skill provides guidance for reading/writing molecular structures, calculating descriptors, fingerprinting, substructure searching, chemical reactions, 2D/3D coordinate generation, and molecular visualization. Use this skill for drug discovery, computational chemistry, and cheminformatics research tasks.
## Core Capabilities
### 1. Molecular I/O and Creation
**Reading Molecules:**
Read molecular structures from various formats:
```python
from rdkit import Chem
# From SMILES strings
mol = Chem.MolFromSmiles('Cc1ccccc1') # Returns Mol object or None
# From MOL files
mol = Chem.MolFromMolFile('path/to/file.mol')
# From MOL blocks (string data)
mol = Chem.MolFromMolBlock(mol_block_string)
# From InChI
mol = Chem.MolFromInchi('InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H')
```
**Writing Molecules:**
Convert molecules to text representations:
```python
# To canonical SMILES
smiles = Chem.MolToSmiles(mol)
# To MOL block
mol_block = Chem.MolToMolBlock(mol)
# To InChI
inchi = Chem.MolToInchi(mol)
```
**Batch Processing:**
…Read the whole file at its exact version.
How to install
mdr add foryourhealth111-pixel/vibe-skills/rdkit@sha256:bf2074b35d168a5fThe line at the top of this page pins the label git:20260430.784fe8b, 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_67mapzta66spi5qi)
1 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 2 versions of this file, between Feb 26, 2026 and Apr 30, 2026, about one every 63 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| git:20260430.784fe8b latest | 2026-04-30 | 784fe8b | 19,829 B | A | view · diff |
| git:20260226.1632f40 | 2026-02-26 | 1632f40 | 19,899 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 (19829 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
foryourhealth111-pixel/vibe-skills · 3,805 stars · license Apache-2.0 · pushed 2026-11-07 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_67mapzta66spi5qi GET https://markdownregistry.com/api/v1/resolve?ref=foryourhealth111-pixel/vibe-skills/rdkit GET https://markdownregistry.com/api/v1/blob/bf2074b35d168a5f07e01272c4af1c8f49063abf1cc8a2f7a82029887a088a88
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.
More from foryourhealth111-pixel/vibe-skills
Every file in foryourhealth111-pixel/vibe-skills