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Molecular Graph Generation on ZINC250K (Validity, Uniqueness, Novelty, FCD)

99.11ValidityStructure-Guided Autoregressive framework
95.074896.122497.1798.2176Jun 2, 2026

Evaluation results

MethodLinks
Structure-Guided Autoregressive frameworkBackbone=LSTM2026.0699.1199.9510032.19
PARD2026.0695.2399.99—1.98