Description-guided molecule design on Mol-Instructions
0.795BLEU ScoreBioT5+
Evaluation results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| BioT5+2024.02 | 0.795 | 7.9 | 30.728 | 56.7 | 68.7 | 41 | 100 | |
| MolT5Parameters=248M2024.02 | 0.546 | 11.2 | 38.276 | 40 | 53.8 | 29.5 | 77.3 | |
| Text+Chem T5Parameters=223M2024.02 | 0.508 | 9.7 | 41.819 | 35.2 | 47.4 | 35.3 | 72.1 | |
| IWDSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.42 | — | 47.6 | — | — | — | — | |
| PartitionSelSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.42 | — | 47.27 | — | — | — | — | |
| PartitionSelSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.39 | — | 49.15 | — | — | — | — | |
| IWDSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.38 | — | 48.25 | — | — | — | — | |
| RandomSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.37 | — | 47.69 | — | — | — | — | |
| IDSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.36 | — | 46.7 | — | — | — | — | |
| GREATSSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.35 | — | 46.96 | — | — | — | — | |
| IDSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.35 | — | 47.59 | — | — | — | — | |
| Mol-InstructionsParameters=7B2024.02 | 0.345 | 0.2 | 41.367 | 23.1 | 41.2 | 14.7 | 100 | |
| COLMSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.34 | — | 49.3 | — | — | — | — | |
| GREATSSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.34 | — | 50.93 | — | — | — | — | |
| GradNormSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.32 | — | 45.7 | — | — | — | — | |
| COLMSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.28 | — | 46.9 | — | — | — | — | |
| GradNormSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | 0.27 | — | 48.3 | — | — | — | — | |
| GalacticaParameters=6.7B2024.02 | 0.192 | 0 | 44.152 | 13.5 | 24.8 | 8.8 | 99.2 | |
| BaizeParameters=7B2024.02 | 0.006 | 0 | 53.796 | 0 | 0 | 0 | 0.2 | |
| VicunaParameters=7B2024.02 | 0.006 | 0 | 60.356 | 0.6 | 0.1 | 0 | 0.1 | |
| AlpacaParameters=7B2024.02 | 0.004 | 0 | 51.088 | 0.6 | 2.9 | 0 | 0.2 | |
| ChatGLMParameters=6B2024.02 | 0.004 | 0 | 53.157 | 0.5 | 0 | 0 | 0.5 | |
| LlamaParameters=7B2024.02 | 0.003 | 0 | 59.864 | 0.5 | 0 | 0 | 0.3 |