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descriptors_viz

The descriptors module provides tools for computing molecular properties and descriptors.

  • Skills
  • Scientific
  • 0

What it does and how to use it

A skill that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.

  1. Install the skill (command above).
  2. In Claude Code, describe what you need - the skill turns on by itself when the context fits.
  3. No commands to memorize: you talk in plain language and the skill does the rest.

Install (Claude Code)

mkdir -p .claude/skills/descriptors-viz && curl -fsSL https://doutorai.pt/data/lib/skills__descriptors-viz.md -o .claude/skills/descriptors-viz/SKILL.md

Paste this command into the terminal, in your project folder, and the component installs automatically.

Content

# Datamol Descriptors and Visualization Reference

## Descriptors Module (`datamol.descriptors`)

The descriptors module provides tools for computing molecular properties and descriptors.

### Specialized Descriptor Functions

#### `dm.descriptors.n_aromatic_atoms(mol)`
Calculate the number of aromatic atoms.
- **Returns**: Integer count
- **Use case**: Aromaticity analysis

#### `dm.descriptors.n_aromatic_atoms_proportion(mol)`
Calculate ratio of aromatic atoms to total heavy atoms.
- **Returns**: Float between 0 and 1
- **Use case**: Quantifying aromatic character

#### `dm.descriptors.n_cha

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