Source code for tdc.single_pred.adme

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

import sys
import warnings

from . import single_pred_dataset
from ..utils import print_sys
from ..metadata import dataset_names

[docs]class ADME(single_pred_dataset.DataLoader): """Data loader class to load datasets in ADME task. More info: 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 convert_format (str, optional): Automatic conversion of SMILES to other molecular formats in MolConvert class. Stored as separate column in dataframe, defaults to None """ def __init__(self, name, path='./data', label_name=None, print_stats=False, convert_format=None): """Create ADME dataloader object. """ super().__init__(name, path, label_name, print_stats, dataset_names=dataset_names["ADME"], convert_format = convert_format) if print_stats: self.print_stats() print('Done!', flush = True, file = sys.stderr)