Update ppb_affinity.py

ppb_affinity.py

@@ -3,10 +3,11 @@ import csv
 import random
 
 class ppb_affinity(datasets.GeneratorBasedBuilder):
-    VERSION = datasets.Version("1.0.2")
+    VERSION = datasets.Version("1.0.0")
     
     BUILDER_CONFIGS = [
         datasets.BuilderConfig(name="raw", description="Raw parsed PDBs dataset with critical filtrations only."),
+        datasets.BuilderConfig(name="raw_rec", description="Raw parsed PDBs dataset with critical filtrations and missing residues recovered."),
         datasets.BuilderConfig(name="filtered", description="Raw dataset with additional cleaning and train/val/test splits."),
         datasets.BuilderConfig(name="filtered_random", description="Filtered dataset with random 80-10-10 splits."),
     ]
@@ -21,6 +22,12 @@ class ppb_affinity(datasets.GeneratorBasedBuilder):
                 name=datasets.Split.TRAIN,
                 gen_kwargs={"filepath": filepath}
             )]
+        elif self.config.name == "raw_rec":
+            filepath = dl_manager.download_and_extract("raw_recover_missing_res.csv")
+            return [datasets.SplitGenerator(
+                name=datasets.Split.TRAIN,
+                gen_kwargs={"filepath": filepath}
+            )]
         elif self.config.name == "filtered":
             filepath = dl_manager.download_and_extract("filtered.csv")
             return [
@@ -83,7 +90,7 @@ class ppb_affinity(datasets.GeneratorBasedBuilder):
         with open(filepath, encoding="utf-8") as f:
             reader = csv.DictReader(f)
             rows = list(reader)
-            if self.config.name == "raw":
+            if self.config.name in ["raw", "raw_rec"]:
                 for idx, row in enumerate(rows):
                     yield idx, row
             elif self.config.name == "filtered":