utilities

This document provides comprehensive documentation for TDC's data processing, evaluation, and utility functions.

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.

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/utilities && curl -fsSL https://doutorai.pt/data/lib/skills__utilities.md -o .claude/skills/utilities/SKILL.md

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

Content

# TDC Utilities and Data Functions

This document provides comprehensive documentation for TDC's data processing, evaluation, and utility functions.

## Overview

TDC provides utilities organized into four main categories:
1. **Dataset Splits** - Train/validation/test partitioning strategies
2. **Model Evaluation** - Standardized performance metrics
3. **Data Processing** - Molecule conversion, filtering, and transformation
4. **Entity Retrieval** - Database queries and conversions

## 1. Dataset Splits

Dataset splitting is crucial for evaluating model generalization. TDC provides multiple sp

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