Update simulation_scripts_orbmol.py

simulation_scripts_orbmol.py

@@ -31,20 +31,11 @@ def load_orbmol_model(device: str = "cpu", precision: str = "float32-high") -> O
     """Load OrbMol once and reuse the same calculator."""
     global _model_calc
     if _model_calc is None:
-        # Deshabilitar optimizaciones problemáticas de PyTorch
-        import os
-        import torch
-        os.environ["TORCH_DYNAMO_DISABLE"] = "1"
-        os.environ["TORCHDYNAMO_DISABLE"] = "1"
-        torch._dynamo.config.disable = True
-        
-        print("Loading OrbMol with optimizations disabled...")
         orbff = pretrained.orb_v3_conservative_inf_omat(
             device=device,
             precision=precision,
         )
         _model_calc = ORBCalculator(orbff, device=device)
-        print("OrbMol loaded successfully")
     return _model_calc
 
 # -----------------------------