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各模型在此基准测试上的性能结果

指标

Top-1 Accuracy
Top-1 MCES
Top-1 Tanimoto
Top-10 Accuracy
Top-10 MCES
Top-10 Tanimoto
9 总计
De Novo Molecule Generation From Ms Ms 1 On Massspecgym | SOTA | HyperAI超神经