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available_featurizers

This document provides a comprehensive catalog of all featurizers available in molfeat, organized by category.

  • Skills
  • Scientific
  • 3

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/available-featurizers && curl -fsSL https://doutorai.pt/data/lib/skills__available-featurizers.md -o .claude/skills/available-featurizers/SKILL.md

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

Content

# Available Featurizers in Molfeat

This document provides a comprehensive catalog of all featurizers available in molfeat, organized by category.

## Transformer-Based Language Models

Pre-trained transformer models for molecular embeddings using SMILES/SELFIES representations.

### RoBERTa-style Models
- **Roberta-Zinc480M-102M** - RoBERTa masked language model trained on ~480M SMILES strings from ZINC database
- **ChemBERTa-77M-MLM** - Masked language model based on RoBERTa trained on 77M PubChem compounds
- **ChemBERTa-77M-MTR** - Multitask regression version trained on PubChem compounds



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