Update models.py

brennanaba · Nov 10, 2022 · ac5591f · ac5591f
1 parent 08143a5
commit ac5591f
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/ImmuneBuilder/models.py b/ImmuneBuilder/models.py
@@ -225,7 +225,7 @@ def forward(self, node_features, sequence):
 
         # Remove atoms of side chains with outrageous clashes
         ds = torch.linalg.norm(all_atoms[None,:,None] - all_atoms[:,None,:,None], axis = -1)
-        ds[torch.isnan(ds!=ds) | (ds==0.0)] = 10
+        ds[torch.isnan(ds) | (ds==0.0)] = 10
         min_ds = ds.min(dim=-1)[0].min(dim=-1)[0].min(dim=-1)[0]
         all_atoms[min_ds < 0.2, 5:, :] = float("Nan")