Scale ESMFold pLDDT to percent

folding_api_service/backends.py

@@ -150,12 +150,16 @@ def _esmfold_output_to_pdb(output: Any) -> str:
     final_atom_positions = final_atom_positions.detach().cpu().numpy()
     final_atom_mask = cpu_data["atom37_atom_exists"]
 
+    b_factors = cpu_data["plddt"][0]
+    if float(b_factors.max()) <= 1.5:
+        b_factors = b_factors * 100.0
+
     protein = OpenFoldProtein(
         aatype=cpu_data["aatype"][0],
         atom_positions=final_atom_positions[0],
         atom_mask=final_atom_mask[0],
         residue_index=cpu_data["residue_index"][0] + 1,
-        b_factors=cpu_data["plddt"][0],
+        b_factors=b_factors,
         chain_index=cpu_data.get("chain_index", [None])[0],
     )
     return to_pdb(protein)
@@ -167,8 +171,12 @@ def _mean_plddt(output: Any) -> float | None:
     if plddt is None:
         return None
     if hasattr(plddt, "detach"):
-        return round(float(plddt.detach().float().mean().cpu().item()), 4)
-    return round(float(plddt.mean()), 4)
+        value = float(plddt.detach().float().mean().cpu().item())
+    else:
+        value = float(plddt.mean())
+    if value <= 1.5:
+        value *= 100.0
+    return round(value, 4)
 
 
 def make_backend() -> FoldingBackend:
@@ -178,4 +186,3 @@ def make_backend() -> FoldingBackend:
     if backend == "esmfold":
         return EsmFoldBackend(os.getenv("ESMFOLD_MODEL_ID", "facebook/esmfold_v1"))
     raise ValueError(f"unsupported FOLD_BACKEND: {backend}")
-