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Molecular Optimization on GuacaMol

0.242Median Score 1Graph MCTS
0.185840.200420.2150.22958Jan 29, 2026

Evaluation results

MethodLinks
Graph MCTS2026.010.2420.1480.3340.7380.4830.210.16600.3690.6113.30125
GFlowNet2026.010.2370.1980.4780.8170.4820.0450.11800.7010.7273.80323
GFlowNet-AL2026.010.2290.1910.4640.8120.4660.0280.04800.7050.7323.67524
Pasithea2026.010.2160.1940.4470.7920.5850.230.2430.0640.4430.7073.92121
JT-VAE BO2026.010.2120.1920.4630.80.5850.1690.30200.5870.7024.01220
DoG-AE2026.010.2030.2010.4640.7930.5390.0390.15600.7440.7233.86222
MolDQN2026.010.1880.1080.2820.6990.3830.0150.04200.1710.5322.4226