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ppb_affinity.py

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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