Source code for tdc.multi_pred.ddi

# -*- coding: utf-8 -*-
# Author: TDC Team
# License: MIT

import warnings

import sys

from ..utils import print_sys
from . import bi_pred_dataset, multi_pred_dataset
from ..metadata import dataset_names

[docs]class DDI(bi_pred_dataset.DataLoader): """Data loader class to load datasets in Drug-Drug Interaction Prediction task More info: Task Description: Multi-class classification. Given the SMILES strings of two drugs, predict their interaction type. Args: name (str): the dataset name. path (str, optional): The path to save the data file, defaults to './data' label_name (str, optional): For multi-label dataset, specify the label name, defaults to None print_stats (bool, optional): Whether to print basic statistics of the dataset, defaults to False """ def __init__(self, name, path="./data", label_name=None, print_stats=False): """Create Drug-Drug Interaction (DDI) Prediction dataloader object""" super().__init__( name, path, label_name, print_stats, dataset_names=dataset_names["DDI"] ) self.entity1_name = "Drug1" self.entity2_name = "Drug2" self.two_types = False if print_stats: self.print_stats() print("Done!", flush=True, file=sys.stderr)
[docs] def print_stats(self): """print the statistics of the dataset""" import numpy as np print_sys("--- Dataset Statistics ---") print( "There are " + str(len(np.unique(self.entity1.tolist() + self.entity2.tolist()))) + " unique drugs.", flush=True, file=sys.stderr, ) print( "There are " + str(len(self.y)) + " drug-drug pairs.", flush=True, file=sys.stderr, ) print_sys("--------------------------")