import json import datasets import pandas as pd class ChemblSMConfig(datasets.BuilderConfig): def __init__(self, features, data_url, **kwargs): super(ChemblSMConfig, self).__init__(**kwargs) self.features = features self.data_url = data_url class ChemblSM(datasets.GeneratorBasedBuilder): BUILDER_CONFIGS = [ ChemblSMConfig( name="pairs", features={ "column1": datasets.Value("string"), "column2": datasets.Value("string"), "label" : datasets.Value("bool") }, data_url="https://huggingface.co/datasets/matchbench/ChEMBL-SM/resolve/main/matches.txt" ), ChemblSMConfig( name="source", features={ "json": datasets.Value("string") }, data_url="https://huggingface.co/datasets/matchbench/ChEMBL-SM/resolve/main/chembl-sm-1.csv" ), ChemblSMConfig( name="target", features={ "json": datasets.Value("string") }, data_url="https://huggingface.co/datasets/matchbench/ChEMBL-SM/resolve/main/chembl-sm-2.csv" ), ] def _info(self): return datasets.DatasetInfo( features=datasets.Features(self.config.features) ) def _split_generators(self, dl_manager): path = dl_manager.download(self.config.data_url) if self.config.name == "pairs": return [ datasets.SplitGenerator( name=split, gen_kwargs={ "file_path": path } ) for split in [ datasets.Split.TEST ] ] elif self.config.name == "source": return [ datasets.SplitGenerator( name="source", gen_kwargs={ "file_path": path } ) ] elif self.config.name == "target": return [ datasets.SplitGenerator( name="target", gen_kwargs={ "file_path": path } ) ] def _generate_examples(self, file_path): if self.config.name == "pairs": with open(file_path, "r") as f: md = {} for _, line in enumerate(f): t = line.strip().split(',') if t[0] not in md: md[t[0]] = {t[1]} else: md[t[0]].add(t[1]) id = -1 for k, v in md.items(): for i in v: id = id + 1 yield id, {"column1": k, "column2": i, "label": True} elif self.config.name == "source": with open(file_path, "r") as f: source = pd.read_csv(file_path) source = source.to_json() yield 0, {"json": source} elif self.config.name == "target": with open(file_path, "r") as f: target = pd.read_csv(file_path) target = target.to_json() yield 0, {"json": target}