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Papers Benchmarks Datasets Tasks

de novo molecular design research benchmarks · SOTA2 Research

de novo molecular design

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

GuacaMol goal-directed tasks

1Osimertinib MPO Score

23

Feb 26, 2026

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—Primary metric

0

Feb 26, 2026

Popular datasets

GEOM-DRUGS GuacaMol

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