ResearchBenchmarksDe Novo Generation on MPTS-52 (test)De Novo Generation on MPTS-52 (test)Follow99.87Structural ValidityDiffCSP++66.17474.92283.6792.418Feb 23, 2026Evaluation resultsMethodMethodLinksStructural ValidityCompositional ValidityDiffCSP++2026.0299.8777.52MCFlow-BModel Size=BaseModel Size=Base2026.0298.3485.57SGEquiDiff2026.0297.7979.83MCFlow-LModel Size=LargeModel Size=Large2026.0297.3485.21MCFlow-SModel Size=SmallModel Size=Small2026.0296.7384.62SymmCD2026.0287.1178.18DiffCSP2026.0267.4755.8