Agent Skills Index

Directory / Scientific Agent Skills (K-Dense) / rdkit

rdkit

skill Science, research & learning

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.
Description from the SKILL.md front matter.

Information source

Copied from the Scientific Agent Skills (K-Dense) catalog (K-Dense-AI/scientific-agent-skills), maintained by K-Dense Inc..

Links are pinned to commit 593377b (2026-10-19), the version we synced. Not reviewed by us.

Install

GitHub CLI v2.90+ (Copilot by default)
gh skill install K-Dense-AI/scientific-agent-skills rdkit
For Claude Code
gh skill install K-Dense-AI/scientific-agent-skills rdkit --agent claude-code
For Codex
gh skill install K-Dense-AI/scientific-agent-skills rdkit --agent codex

Commands follow each host's documentation (Any Agent Skills host (Claude Code, Codex, Cursor, Gemini CLI, Copilot…) docs). gh skill needs GitHub CLI 2.90 or later and is in public preview.

Listed from K-Dense Inc.'s catalog, not reviewed by us. Read the source before installing.

Catalog
Scientific Agent Skills (K-Dense)
Information source
SKILL.md in K-Dense-AI/scientific-agent-skills
Author
K-Dense Inc.
Source code
K-Dense-AI/scientific-agent-skills
License
BSD-3-Clause
Repository stars
52,882 for K-Dense-AI/scientific-agent-skills (the whole catalog repo)
Version
1.5
Added to catalog
Not tracked for this source
Last change
2026-10-19 (last push to the repo)

What it contains

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