load_and_split_data

This script demonstrates how to load TDC datasets and apply different splitting strategies for model training and evaluation.

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.
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Install (Claude Code)

mkdir -p .claude/skills/load-and-split-data && curl -fsSL https://doutorai.pt/data/lib/skills__load-and-split-data.md -o .claude/skills/load-and-split-data/SKILL.md

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

Content

#!/usr/bin/env python3
"""
TDC Data Loading and Splitting Template

This script demonstrates how to load TDC datasets and apply different
splitting strategies for model training and evaluation.

Usage:
    python load_and_split_data.py
"""

from tdc.single_pred import ADME
from tdc.multi_pred import DTI
from tdc import Evaluator
import pandas as pd


def load_single_pred_example():
    """
    Example: Loading and splitting a single-prediction dataset (ADME)
    """
    print("=" * 60)
    print("Example 1: Single-Prediction Task (ADME)")
    print("=" * 60)

    # Load Caco2 dataset (intestin

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