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Update validate_splits.py
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fix formatting error
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JacksonBurns authored Dec 3, 2023
1 parent 9489617 commit 59aa3a9
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion examples/reproduce_paper_splits/validate_splits.py
Original file line number Diff line number Diff line change
Expand Up @@ -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",
}
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