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Molecular Optimization on GuacaMol (held-out)

2.64Average RankLILBO
2.4923.4914.495.489Jun 8, 2026

Evaluation results

MethodLinks
LILBO2026.062.64
InvBO2026.062.88
TabPFN-32026.062.94
NFBO2026.062.96
LSBO2026.065.86
LolBO2026.065.9
Random2026.066.25
CoBO2026.066.34