Merge pull request #403 from chemprop/bugfix/tsne_script

Fix t-SNE script
chemprop · Jun 2, 2023 · 256fbd9 · 256fbd9
2 parents 02a6f76 + 4d33030
commit 256fbd9
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/scripts/tsne.py b/scripts/tsne.py
@@ -62,7 +62,7 @@ def compare_datasets_tsne(args: Args):
     # Compute Morgan fingerprints
     print('Computing Morgan fingerprints')
     morgan_generator = get_features_generator('morgan')
-    morgans = [morgan_generator(smile) for smile in tqdm(smiles, total=len(smiles))]
+    morgans = np.array([morgan_generator(smile) for smile in tqdm(smiles, total=len(smiles))])
 
     print('Running t-SNE')
     start = time.time()