force str dtype in temperatures list

torchmd · Jul 29, 2024 · f5c2d46 · f5c2d46
1 parent c12a2bd
commit f5c2d46
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/torchmdnet/datasets/mdcath.py b/torchmdnet/datasets/mdcath.py
@@ -81,7 +81,7 @@ def __init__(
         os.makedirs(root, exist_ok=True)
         self.numAtoms = numAtoms
         self.numResidues = numResidues
-        self.temperatures = temperatures
+        self.temperatures = [str(temp) for temp in temperatures]
         self.skip_frames = skip_frames
         self.pdb_list = load_pdb_list(pdb_list) if pdb_list is not None else None
         self.min_gyration_radius = min_gyration_radius