Source code for tdc.generation.molgen

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

import warnings
warnings.filterwarnings("ignore")

from . import generation_dataset
from ..metadata import dataset_names

[docs]class MolGen(generation_dataset.DataLoader): """Data loader class accessing to molecular generation task (distribution learning) """ def __init__(self, name, path = './data', print_stats = False, column_name = 'smiles'): """To create an data loader object for molecular generation task. The goal is to generate diverse, novel molecules that has desirable chemical properties. One can combined with oracle functions. Args: name (str): the name of the datset path (str, optional): the path to the saved data file. print_stats (bool, optional): whether to print the basic statistics column_name (str, optional): the name of the column containing molecular data. """ super().__init__(name, path, print_stats, column_name)