Text Based De Novo Molecule Generation On
評価指標
BLEU
Exact Match
Frechet ChemNet Distance (FCD)
Levenshtein
MACCS FTS
Morgan FTS
Parameter Count
RDK FTS
Text2Mol
Validity
評価結果
このベンチマークにおける各モデルのパフォーマンス結果
比較表
| モデル名 | BLEU | Exact Match | Frechet ChemNet Distance (FCD) | Levenshtein | MACCS FTS | Morgan FTS | Parameter Count | RDK FTS | Text2Mol | Validity |
|---|---|---|---|---|---|---|---|---|---|---|
| translation-between-molecules-and-natural | 85.4 | 30.2 | 1.20 | 16.07 | 83.4 | 68.4 | 770000000 | 74.6 | 55.4 | 90.5 |
| git-mol-a-multi-modal-large-language-model | 75.6 | 5.1 | - | 26.315 | 73.8 | 51.9 | - | 58.2 | - | 92.8 |
| unifying-molecular-and-textual | 75 | 21.2 | 0.061 | 27.39 | 87.4 | 69.7 | 220000000 | 76.7 | - | 79.2 |
| empowering-molecule-discovery-for-molecule | 85.7 | 28.0 | 0.41 | 17.14 | 90.3 | 73.9 | None | 80.5 | 59.3 | 89.9 |
| biot5-towards-generalized-biological | 87.2 | 52.2 | 0.353 | 12.776 | 90.7 | 77.9 | 252000000 | 83.5 | 57.9 | 100 |
| ldmol-text-conditioned-molecule-diffusion | 92.6 | 53.3 | 0.20 | 6.750 | 97.3 | 93.1 | - | 95.0 | - | 94.1 |
| translation-between-molecules-and-natural | 75.5 | 7.9 | 2.49 | 25.988 | 70.3 | 51.7 | 60000000 | 56.8 | 48.2 | 72.1 |
| molreflect-towards-fine-grained-in-context | 90.3 | 51.0 | - | 11.84 | 92.9 | 81.3 | - | 86.0 | - | 97.7 |
| biot5-enriching-cross-modal-integration-in | 86.7 | 41.3 | .43 | 15.097 | 88.6 | 73.4 | 252000000 | 80.1 | 57.6 | 100 |
| unifying-molecular-and-textual | 73.9 | 15.7 | 0.066 | 28.54 | 85.9 | 66 | 60000000 | 73.6 | - | 77.6 |
| molfm-a-multimodal-molecular-foundation-model | 80.3 | 16.9 | - | 20.868 | 83.4 | 72.1 | 13620000 | 66.2 | 57.3 | 85.9 |
| empowering-molecule-discovery-for-molecule | 79.0 | 13.9 | 0.57 | 24.91 | 84.7 | 62.4 | - | 70.8 | 57.1 | 88.7 |
| unifying-molecular-and-textual | 81.5 | 19.1 | 0.06 | 21.78 | 86.4 | 67.2 | 60000000 | 74.4 | - | 95.1 |
| text-guided-molecule-generation-with | 82.6 | 24.2 | 0.77 | 17.003 | 85.4 | 68.8 | 180000000 | 73.9 | 58.1 | 87.1 |
| molxpt-wrapping-molecules-with-text-for | - | 21.5 | 0.45 | - | 85.9 | 66.7 | 350000000 | 75.7 | 57.8 | 98.3 |
| translation-between-molecules-and-natural | 81.0 | 31.4 | 0.44 | 16.758 | 87.2 | 72.2 | 770000000 | 78.6 | 59.0 | 99.6 |
| translation-between-molecules-and-natural | 76.9 | 8.1 | 2.18 | 24.458 | 72.1 | 52.9 | 220000000 | 58.8 | 49.6 | 77.2 |
| molfm-a-multimodal-molecular-foundation-model | 82.2 | 21.0 | - | 19.445 | 85.4 | 75.8 | 296200000 | 69.7 | 58.3 | 89.2 |
| unifying-molecular-and-textual | 85.3 | 32.2 | .05 | 16.87 | 90.1 | 75.7 | 220000000 | 81.6 | - | 94.3 |
| text-guided-molecule-generation-with | 82.8 | 24.2 | 0.89 | 16.897 | 87.4 | 72.2 | 180000000 | 77.1 | 58.9 | 78.9 |