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Bicyclic molecule generation research benchmarks · SOTA2 Research

Bicyclic molecule generation

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

1000 molecules with 45 heavy atoms (test)

MolDiff + MACROGUIDE

99.8Validity

2

Feb 26, 2026

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Molecules with heavy atoms

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