Unconditional Molecular Generation on ZINC 250k
99.8ValiditySIGMA
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| SIGMAModel Category=Sequence-based2026.03 | 99.8 | 0.041 | 81.4 | 79.8 | 91 | 0.752 | |
| LTCLModel Category=Sequence-based2026.03 | 98.8 | 1.698 | 79.8 | 71.1 | 91 | 0.834 | |
| RandSMILESModel Category=Sequence-based2026.03 | 98.6 | 2.677 | 75.6 | 68.9 | 88.9 | 0.892 | |
| MolGPTModel Category=Sequence-based2026.03 | 98 | — | 77 | 76.6 | 98.9 | 0.923 | |
| LO-ARMModel Category=Graph-based2026.03 | 96.1 | — | 100 | — | — | 3.229 | |
| CharRNNModel Category=Sequence-based2026.03 | 89.9 | — | 69 | 18.2 | 99.2 | 0.965 | |
| mGPT2Model Category=Sequence-based2026.03 | 85.3 | — | 67.4 | 67.2 | 96 | 0.83 | |
| GraphAFModel Category=Graph-based2026.03 | 68.5 | — | 98.6 | — | — | 16.02 | |
| MoFlowModel Category=Graph-based2026.03 | 63.1 | — | 99.9 | — | — | 20.93 |