Source code for tdc.generation.reaction

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

import warnings
warnings.filterwarnings("ignore")

from . import generation_dataset
from ..metadata import dataset_names

[docs]class Reaction(generation_dataset.PairedDataLoader): """Data loader class accessing to forward reaction prediction task. """ def __init__(self, name, path = './data', print_stats = False, input_name = 'reactant', output_name = 'product'): """To create an data loader object for forward reaction prediction task. The goal is to predict the reaction products given a set of reactants 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 input_name (str, optional): the name of the column containing input molecular data (reactant) output_name (str, optional): the name of the column containing output molecular data (product) """ super().__init__(name, path, print_stats, input_name, output_name)