updated normalization for combined data

affinity-data-combined.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:a564ab56f845c9c4849d2c55e173e0ad53e873bdffc5c438eea064941663ea89
-size 1787700177
+oid sha256:23fc7754161e313ca4f702a5730fd1265dae9f877f2a2047a02039a3d385b036
+size 1786935004

combine_data.py

@@ -9,6 +9,15 @@ def combine_csv_files(csv_file_list):
     
     # Sort by neg_log10_affinity_M
     combined_df = combined_df.sort_values('neg_log10_affinity_M', ascending=False)
+
+    # Calculate mean and standard deviation of affinities
+    affinity_mean = combined_df['neg_log10_affinity_M'].mean()
+    affinity_std = combined_df['neg_log10_affinity_M'].std()
+    
+    # Add columns for mean, std and normalized values
+    combined_df['affinity_mean'] = affinity_mean
+    combined_df['affinity_std'] = affinity_std
+    combined_df['affinity_norm'] = (combined_df['neg_log10_affinity_M'] - affinity_mean) / affinity_std
     
     return combined_df