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metal3d

Runtime error

simonduerr commited on Jun 2, 2022

Commit

61855d2

1 Parent(s): 7f3745d

Update utils/voxelization.py

Files changed (1) hide show

utils/voxelization.py CHANGED Viewed

@@ -197,7 +197,7 @@ def processStructures(pdb_file, resids, clean=True):
     results = [voxelize_single_notcentered(x) for x in environments]
-    voxels = torch.empty(len(results), 8, 32, 32, 32, device="cuda")
     vox_env, prot_centers_list, prot_n_list, envs = zip(*results)

     results = [voxelize_single_notcentered(x) for x in environments]
+    voxels = torch.empty(len(results), 8, 32, 32, 32, device="cpu")
     vox_env, prot_centers_list, prot_n_list, envs = zip(*results)