Get Started with PyTDC

Installation

Install PyTDC using pip:

pip install pytdc-nextml

Quick Start

Here's a simple example to get you started with PyTDC:

from tdc_ml.single_pred import ADME

# Load a dataset
data = ADME(name='Caco2_Wang')

# Get the split
split = data.get_split()

print(split['train'].head())

Documentation

For detailed documentation, examples, and tutorials, please visit:

• GitHub Repository
• HuggingFace Models