Fixed the ColloidalAggregators number of compounds

README.md

@@ -33,7 +33,7 @@ This dataset collection contains ~200K curated Active compound lists from ~90 di
 | Absorbance           | 1486               |
 | Artifact             | 10952              |
 | Autofluoresence      | 32054              |
-| ColloidalAggregators | 19533              |
+| ColloidalAggregators | 19553              |
 | HeavyHitters         | 71981              |
 | LuciferaseInhibition | 32831              |
 | Misannotation        | 39                 |

correct_dtype.py

@@ -0,0 +1,18 @@
+import pandas as pd
+import csv
+from pathlib import Path
+
+data_dir = Path("./data")
+
+for csv_file in data_dir.glob("*.csv"):
+    print(f"Fixing {csv_file.name}")
+    df = pd.read_csv(csv_file)
+
+    df["Type"] = df["Type"].fillna("").astype(str)
+    df["DatasetName"] = df["DatasetName"].fillna("").astype(str)
+    df["ID"] = df["ID"].fillna("").astype(str)
+    df["IDType"] = df["IDType"].fillna("").astype(str)
+    df["SMILES"] = df["SMILES"].fillna("").astype(str)
+    df["AID"] = pd.to_numeric(df["AID"], errors="coerce").astype("Int64")
+
+    df.to_csv(csv_file, index=False, quoting=csv.QUOTE_NONNUMERIC)