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molecule-analysis

Parse and inspect small molecules from SMILES with the local RDKit pipeline.

Skill by phenixace

IndexedMIT★ 2
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Install

Works with Claude Code, Claude apps, Codex, Cursor, Gemini CLI, GitHub Copilot, VS Code, OpenCode, Goose, Windsurf. Read the repository before you give any tool access to your data.

npx agentmarket install skill/phenixace-molecule-analysis

Asks which of your tools to add it to (Claude Code, Codex, Cursor, VS Code, Windsurf, Gemini CLI, Claude Desktop) and shows the change first. See https://agentmart.dev/cli.

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About

Parse and inspect small molecules from SMILES with the local RDKit pipeline. Use for molecular graphs, bond orders, rings, formulae, and core drug-like descriptors; do not use it as an experimental ADMET prediction.

Use cases: data

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Permissions

What this skill can do and what it asks for, from its SKILL.md. Checked Oct 25, 2026.

Tools
No tools found
Secrets
None asked for
Install scripts
None found
Runs as
Python package

Network hosts it talks to 1

  • codeload.github.com · found in install command

Files it touches

  • ~/.claude/skills/molecule-analysis

What's inside

Skill name
molecule-analysis
Description
Parse and inspect small molecules from SMILES with the local RDKit pipeline. Use for molecular graphs, bond orders, rings, formulae, and core drug-like descriptors; do not use it as an experimental ADMET prediction.
License
MIT
Instructions
7 lines in SKILL.md · view on GitHub

Before installing

  • Ships executable scripts

Files (4)

  • SKILL.md
  • openai.yaml · agents/
  • handler.py · scripts/
  • skill.json

SKILL.md (first lines)

# Molecule Analysis

Use `chem_analyze_molecule` for concrete SMILES work. Report calculated descriptors as RDKit outputs and keep medicinal-chemistry interpretations separate from computed facts.

When suggesting analogues, preserve the stated scaffold and constraints, label every design as a hypothesis, and name the assay or calculation needed to validate it. The returned molecule artifact can be opened in the Molemo structure viewer.

From phenixace/Molemo_WorkBench, MIT.

More from phenixace/Molemo_WorkBench

Signals

Stars
2
Forks
0
Open issues
0
Last commit (this folder)
Aug 29, 2026 (2 months ago)

From GitHub (fetched Oct 24, 2026).

Details

License
MIT
First seen
Oct 24, 2026
Last checked
Oct 24, 2026

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Cite this page

molecule-analysis skill. Agent Mart. https://agentmart.dev/skills/phenixace-molecule-analysis (last updated 2026-10-24)