From 59aa3a9282c7bab819b7b50359e2f7c63b6af37b Mon Sep 17 00:00:00 2001 From: Jackson Burns <33505528+JacksonBurns@users.noreply.github.com> Date: Sun, 3 Dec 2023 08:20:03 -0500 Subject: [PATCH] Update validate_splits.py fix formatting error --- examples/reproduce_paper_splits/validate_splits.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/examples/reproduce_paper_splits/validate_splits.py b/examples/reproduce_paper_splits/validate_splits.py index 74a2e39..8e9cbd0 100644 --- a/examples/reproduce_paper_splits/validate_splits.py +++ b/examples/reproduce_paper_splits/validate_splits.py @@ -19,7 +19,8 @@ "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", <- kmeans inconsistent on this size dataset, but model performance results are unaffected + # "REFERENCE_QM9_splits_kmeans.pkl": "QM9_splits/QM9_splits_kmeans.pkl", + # kmeans inconsistent on this size dataset, but model performance results are unaffected "REFERENCE_QM9_splits_random.pkl": "QM9_splits/QM9_splits_random.pkl", "REFERENCE_QM9_splits_scaffold.pkl": "QM9_splits/QM9_splits_scaffold.pkl", }