add small molecule normalization to absolute score

src/boltzgen/resources/metrics_normalization.json

@@ -30,5 +30,9 @@
     "plip_hbonds_refolded": {
         "mean": 7.099706654392513,
         "std": 4.456755351208993
+    },
+    "affinity_probability_binary1": {
+        "mean": 0.4726671722992441,
+        "std": 0.19092615494037402
     }
 }

src/boltzgen/task/filter/filter.py

@@ -434,6 +434,7 @@ class Filter(Task):
                 self.df[col + "_z"] = (self.df[col] - mean) / std
 
         importances = {
+            "affinity_probability_binary1": 1.5,
             "design_iiptm": 1.0,
             "design_ptm": 0.5,
             "min_design_to_target_pae": -1.0,  # lower is better