Catalyst

Task Overview

Catalyst Prediction involves predicting interactions or relationships between multiple biological entities. These multi-instance prediction tasks are crucial for understanding complex biological systems and drug discovery processes.

Available Datasets

Usage Example

You can access these datasets using the PyTDC library:

from tdc_ml.multi_pred import Catalyst

# Load a dataset
data = Catalyst(name='USPTO_Catalyst')

# Access the data
df = data.get_data()
print(df.head())

# Get train/val/test splits
split = data.get_split()
print(split)