io_module

The datamol.io module provides comprehensive file handling for molecular data across multiple formats.

Skills
Scientific
2

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.

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

Install (Claude Code)

mkdir -p .claude/skills/io-module && curl -fsSL https://doutorai.pt/data/lib/skills__io-module.md -o .claude/skills/io-module/SKILL.md

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

Content

# Datamol I/O Module Reference

The `datamol.io` module provides comprehensive file handling for molecular data across multiple formats.

## Reading Molecular Files

### `dm.read_sdf(filename, sanitize=True, remove_hs=True, as_df=True, mol_column='mol', ...)`
Read Structure-Data File (SDF) format.
- **Parameters**:
  - `filename`: Path to SDF file (supports local and remote paths via fsspec)
  - `sanitize`: Apply sanitization to molecules
  - `remove_hs`: Remove explicit hydrogens
  - `as_df`: Return as DataFrame (True) or list of molecules (False)
  - `mol_column`: Name of molecule column in 

- 🔒 Full content on the Pro plan (€7.99/month) -

Need help with Claude Code?

Ask Dr AI - it explains things simply.

Need a tailor-made solution?

Not sure where to start with AI in your business? Get a free assessment and a tailored plan - no commitment.

Save hours every week with AI, no hassle

Doutor AI gives you 1,859 ready-to-copy AI prompts, by industry and in plain English - plus a complete technical library for those who want to go further.

See plans