PFD to SFILES conversion on 100k (test)
48.6CEF Accuracy (Top-1)Sequence-to-sequence
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| Sequence-to-sequenceReference=Hirtreiter et al., 20232024.11 | 48.6 | 89.2 | 99.2 | 99.5 | 70.8 | 96.4 | |
| Graph-to-SFILESEncoder=Combined model2024.11 | 46.1 | 79 | 80.5 | 96.8 | 69.2 | 89.8 | |
| Graph-to-SFILESEncoder=GraphConv2024.11 | 45.9 | 78.8 | 80.3 | 96.7 | 69.1 | 89.8 | |
| Graph-to-SFILESEncoder=GATv22024.11 | 45.1 | 77.4 | 79.2 | 94.7 | 68.6 | 88.6 | |
| Graph-to-SFILESEncoder=Graph Transformer2024.11 | 30 | 63 | 46.3 | 82.1 | 61.1 | 81.4 |