From f5c2d4683479340284ede894be0faf743a065b49 Mon Sep 17 00:00:00 2001
From: Antonio Mirarchi <antonio.mirarchi@upf.edu>
Date: Mon, 29 Jul 2024 10:50:58 +0200
Subject: [PATCH] force str dtype in temperatures list

---
 torchmdnet/datasets/mdcath.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/torchmdnet/datasets/mdcath.py b/torchmdnet/datasets/mdcath.py
index 4d7055b2..62868fc9 100644
--- 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