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

datamol

Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
Description from the SKILL.md front matter.

Install

GitHub CLI v2.90+ (Copilot by default)

gh skill install K-Dense-AI/scientific-agent-skills datamol

For Claude Code

gh skill install K-Dense-AI/scientific-agent-skills datamol --agent claude-code

For Codex

gh skill install K-Dense-AI/scientific-agent-skills datamol --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)
Author: K-Dense Inc.
Source code: K-Dense-AI/scientific-agent-skills
License: Apache-2.0
Repository stars: 52,795 for K-Dense-AI/scientific-agent-skills (the whole catalog repo)
Version: 1.4
Added to catalog: Not tracked for this source
Last change: 2026-10-19 (last push to the repo)

What it contains

Skills: 1

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