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Benchmarks
Multi-property guided molecular generation on MOSES
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0.061
MAE (QED)
MolHIT
0.05876
0.07388
0.089
0.10412
Feb 19, 2026
MAE (QED)
MAE (SA)
MAE (LogP)
MAE (MW)
MAE (Avg)
Pearson r (QED)
Pearson r (SA)
Pearson r (LogP)
Pearson r (MW)
Pearson r (Avg)
Validity
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (QED)
MAE (SA)
MAE (LogP)
MAE (MW)
MAE (Avg)
Pearson r (QED)
Pearson r (SA)
Pearson r (LogP)
Pearson r (MW)
Pearson r (Avg)
Validity
MolHIT
2026.02
0.061
0.04
0.049
0.081
0.058
0.804
0.79
0.95
0.685
0.807
96.31
Marginal + DAE
2026.02
0.107
0.094
0.061
0.227
0.122
0.565
0.559
0.836
0.437
0.599
87.85
Marginal
2026.02
0.117
0.115
0.067
0.272
0.143
0.489
0.57
0.802
0.396
0.564
75.03
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