Update validate_splits.py

skip kmeans for reproducbility issue
JacksonBurns · Dec 7, 2023 · 4c03349 · 4c03349
1 parent e08144d
commit 4c03349
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/examples/reproduce_paper_splits/validate_splits.py b/examples/reproduce_paper_splits/validate_splits.py
@@ -16,7 +16,7 @@
 import numpy as np
 
 tests_dict = {
-    "REFERENCE_RDB7_splits_kmeans.pkl": "RDB7_splits/RDB7_splits_kmeans.pkl",
+    # "REFERENCE_RDB7_splits_kmeans.pkl": "RDB7_splits/RDB7_splits_kmeans.pkl",
     "REFERENCE_RDB7_splits_random.pkl": "RDB7_splits/RDB7_splits_random.pkl",
     "REFERENCE_RDB7_splits_scaffold.pkl": "RDB7_splits/RDB7_splits_scaffold.pkl",
     # "REFERENCE_QM9_splits_kmeans.pkl": "QM9_splits/QM9_splits_kmeans.pkl",