ZINC
Benchmarks
Task NameDataset NameSOTA ResultTrendResults
ZINC250K MOSES (test)
0.495FCD
10
ZINC250K
99.8Uniqueness
10
ZINC (val)
0.104MAE
9
ZINC20
0.606Hypervolume
9
ZINC20
0.644Hypervolume
9
ZINC20
0.764Hypervolume
9
ZINC 20
0.79Hypervolume
9
ZINC20
94.1Hypervolume
9
ZINC20
88Diversity (Div)
9
ZINC20
0.906Diversity (Div)
9
ZINC20
87.8Diversity
9
ZINC20
87.8Diversity (Div)
9
ZINC20
87.99Diversity (Div)
9
ZINC20
88.33Div
9
ZINC20
60.9Validity
9
ZINC filtered (test)
0.212Test MAE
9
Zinc250K
100Validity
9
ZINC 250k
99.8Validity
9
ZINC250k target: jak2 (test)
-11.123DS (top 5%)
9
ZINC250k target: braf (test)
-11.197DS (top 5%)
9
ZINC250k target: 5ht1b (test)
-11.399DS (top 5%)
9
ZINC250k target: fa7 (test)
-9.099Docking Score (top 5%)
9
ZINC250k target: parp1 (test)
-12.515DS (top 5%)
9
ZINC250k
96.24Validity
9
ZINC250K
0.46Generation Time
9