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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
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