ppb_affinity.py

import datasets
import csv

class ppb_affinity(datasets.GeneratorBasedBuilder):
    VERSION = datasets.Version("1.0.0")
    
    BUILDER_CONFIGS = [
        datasets.BuilderConfig(name="raw", description="Raw parsed PDBs dataset with critical filtrations only."),
        datasets.BuilderConfig(name="filtered", description="Raw dataset with additional cleaning and train/val/test splits."),
    ]
    
    def _info(self):
        return datasets.DatasetInfo()
    
    def _split_generators(self, dl_manager):
        if self.config.name == "raw":
            filepath = dl_manager.download_and_extract("raw.csv")
            return [datasets.SplitGenerator(
                name=datasets.Split.TRAIN,
                gen_kwargs={"filepath": filepath}
            )]
        else:
            filepath = dl_manager.download_and_extract("filtered.csv")
            return [
                datasets.SplitGenerator(
                    name=datasets.Split.TRAIN,
                    gen_kwargs={"filepath": filepath, "split": "train"},
                ),
                datasets.SplitGenerator(
                    name=datasets.Split.VALIDATION,
                    gen_kwargs={"filepath": filepath, "split": "val"},
                ),
                datasets.SplitGenerator(
                    name=datasets.Split.TEST,
                    gen_kwargs={"filepath": filepath, "split": "test"},
                ),
            ]
    
    def _generate_examples(self, filepath, split=None):
        with open(filepath, encoding="utf-8") as f:
            reader = csv.DictReader(f)
            for idx, row in enumerate(reader):
                if self.config.name == "raw":
                    yield idx, row
                else:
                    if row["split"] == split:
                        del row["split"]  # Remove split column from examples
                        yield idx, row