Equilibrated reaction prediction on FlowER 19 (original)
89.74Step Accuracy (Top-1)FlowER-large*
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| FlowER-large*Model variant=Large2025.12 | 89.74 | 98.66 | 92.5 | 98.15 | |
| FlowER*Model variant=Standard2025.12 | 88.48 | 97.96 | 88.97 | 96.48 | |
| T5Backbone=T5, Tokenizer=MechSMILES2025.12 | 84.27 | 98.14 | 96.02 | 98.69 | |
| T5Backbone=T5, Tokenizer=MechSMILES2025.12 | 84.21 | 98.11 | 95.86 | 98.56 | |
| T5Backbone=T5, Tokenizer=MechSMILES2025.12 | 83.33 | 97.61 | 93.16 | 97.58 | |
| LLaMaBackbone=LLaMa, Tokenizer=MechSMILES2025.12 | 79.75 | 93.69 | 74.26 | 86.23 | |
| LLaMaBackbone=LLaMa, Tokenizer=MechSMILES2025.12 | 78.22 | 92.63 | 76.92 | 84.62 | |
| LLaMaBackbone=LLaMa, Tokenizer=MechSMILES2025.12 | 77.38 | 91.83 | 68.24 | 81.85 |