Molecular Generation on ZINC250K
942.2UniquenessUDLM + DCD
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| UDLM + DCDSteps=642025.12 | 942.2 | — | — | — | |
| UDLMSteps=642025.12 | 937.2 | — | — | — | |
| UDLM + DCDSteps=322025.12 | 933.1 | — | — | — | |
| UDLMSteps=322025.12 | 921.5 | — | — | — | |
| UDLM + DCDSteps=162025.12 | 919.8 | — | — | — | |
| PAIRFLOWSteps=642025.12 | 907.8 | — | — | — | |
| PAIRFLOW + DCDSteps=642025.12 | 907.1 | — | — | — | |
| PAIRFLOW + RediSteps=642025.12 | 907 | — | — | — | |
| PAIRFLOWSteps=322025.12 | 901 | — | — | — | |
| PAIRFLOW + DCDSteps=322025.12 | 900.9 | — | — | — | |
| UDLM + RediSteps=642025.12 | 900 | — | — | — | |
| PAIRFLOW + RediSteps=322025.12 | 897.4 | — | — | — | |
| PAIRFLOW + DCDSteps=162025.12 | 896.5 | — | — | — | |
| UDLM + RediSteps=322025.12 | 892.2 | — | — | — | |
| UDLMSteps=162025.12 | 887.3 | — | — | — | |
| UDLM + DCDSteps=82025.12 | 873.5 | — | — | — | |
| PAIRFLOWSteps=162025.12 | 873.2 | — | — | — | |
| PAIRFLOW + RediSteps=162025.12 | 869.3 | — | — | — | |
| PAIRFLOW + DCDSteps=82025.12 | 858.2 | — | — | — | |
| UDLM + RediSteps=162025.12 | 856.3 | — | — | — | |
| PAIRFLOWSteps=82025.12 | 799.4 | — | — | — | |
| PAIRFLOW + RediSteps=82025.12 | 793.6 | — | — | — | |
| UDLMSteps=82025.12 | 775.1 | — | — | — | |
| UDLM + RediSteps=82025.12 | 734.3 | — | — | — | |
| PAIRFLOW + DCDSteps=42025.12 | 725.1 | — | — | — | |
| UDLM + DCDSteps=42025.12 | 718.2 | — | — | — | |
| RandomSteps=162025.12 | 611 | — | — | — | |
| RandomSteps=322025.12 | 602.4 | — | — | — | |
| MDLMSteps=642025.12 | 582.4 | — | — | — | |
| RandomSteps=642025.12 | 571 | — | — | — | |
| RandomSteps=82025.12 | 569.4 | — | — | — | |
| PAIRFLOW + RediSteps=42025.12 | 562.8 | — | — | — | |
| PAIRFLOWSteps=42025.12 | 533.9 | — | — | — | |
| MDLMSteps=322025.12 | 511.3 | — | — | — | |
| PAIRFLOW + DCDSteps=22025.12 | 436.3 | — | — | — | |
| UDLMSteps=42025.12 | 435.7 | — | — | — | |
| UDLM + RediSteps=42025.12 | 424.8 | — | — | — | |
| MDLMSteps=162025.12 | 392.6 | — | — | — | |
| RandomSteps=42025.12 | 351.2 | — | — | — | |
| UDLM + DCDSteps=22025.12 | 323.9 | — | — | — | |
| MDLMSteps=82025.12 | 256 | — | — | — | |
| PAIRFLOW + RediSteps=22025.12 | 221.5 | — | — | — | |
| PAIRFLOWSteps=22025.12 | 146.3 | — | — | — | |
| PAIRFLOW + DCDSteps=12025.12 | 114.9 | — | — | — | |
| MDLMSteps=42025.12 | 105.1 | — | — | — | |
| GCPN2022.10 | 99.97 | 20 | 100 | — | |
| MoFlow2022.10 | 99.9 | 50.3 | 100 | 100 | |
| MRNN2022.10 | 99.89 | 65 | 100 | — | |
| ModFlowArchitecture=3D-EGNN2022.10 | 99.7 | — | 100 | 100 | |
| ModFlowArchitecture=2D-EGNN2022.10 | 99.4 | — | 100 | 100 | |
| ModFlowArchitecture=JT-3D-EGNN2022.10 | 99.3 | — | 100 | 100 | |
| GraphDF2022.10 | 99.2 | 89 | 100 | 100 | |
| GraphAF2022.10 | 99.1 | 68 | 100 | 100 | |
| ModFlowArchitecture=JT-2D-EGNN2022.10 | 99.1 | — | 100 | 100 | |
| GraphNVP2022.10 | 94.8 | 42.6 | 100 | 100 | |
| UDLM + RediSteps=22025.12 | 75.9 | — | — | — | |
| RandomSteps=22025.12 | 68.3 | — | — | — | |
| UDLMSteps=22025.12 | 65.2 | — | — | — | |
| GRF2022.10 | 53.7 | 73.4 | 100 | 100 | |
| PAIRFLOW + RediSteps=12025.12 | 46.3 | — | — | — | |
| MDLMSteps=22025.12 | 32.7 | — | — | — | |
| UDLM + DCDSteps=12025.12 | 25.7 | — | — | — | |
| PAIRFLOWSteps=12025.12 | 9.9 | — | — | — | |
| GVAE2022.10 | 9 | 7.2 | 100 | 53.7 | |
| MDLMSteps=12025.12 | 7.4 | — | — | — | |
| UDLM + RediSteps=12025.12 | 0.7 | — | — | — | |
| RandomSteps=12025.12 | 0.6 | — | — | — | |
| UDLMSteps=12025.12 | 0.3 | — | — | — | |
| MDLMSteps=12025.12 | — | — | 3.8 | — | |
| MDLMSteps=22025.12 | — | — | 24.2 | — | |
| MDLMSteps=42025.12 | — | — | 84.5 | — | |
| MDLMSteps=82025.12 | — | — | 228.3 | — | |
| MDLMSteps=162025.12 | — | — | 372 | — | |
| MDLMSteps=322025.12 | — | — | 494.5 | — | |
| MDLMSteps=642025.12 | — | — | 569.3 | — | |
| PAIRFLOWSteps=12025.12 | — | — | 9.9 | — | |
| PAIRFLOWSteps=22025.12 | — | — | 146.3 | — | |
| PAIRFLOWSteps=42025.12 | — | — | 533.9 | — | |
| PAIRFLOWSteps=82025.12 | — | — | 799.4 | — | |
| PAIRFLOWSteps=162025.12 | — | — | 873.2 | — | |
| PAIRFLOWSteps=322025.12 | — | — | 901 | — | |
| PAIRFLOWSteps=642025.12 | — | — | 907.8 | — | |
| PAIRFLOW + DCDSteps=12025.12 | — | — | 114.9 | — | |
| PAIRFLOW + DCDSteps=22025.12 | — | — | 436.3 | — | |
| PAIRFLOW + DCDSteps=42025.12 | — | — | 725.1 | — | |
| PAIRFLOW + DCDSteps=82025.12 | — | — | 858.2 | — | |
| PAIRFLOW + DCDSteps=162025.12 | — | — | 896.4 | — | |
| PAIRFLOW + DCDSteps=322025.12 | — | — | 900.9 | — | |
| PAIRFLOW + DCDSteps=642025.12 | — | — | 907.1 | — | |
| PAIRFLOW + RediSteps=12025.12 | — | — | 46.3 | — | |
| PAIRFLOW + RediSteps=22025.12 | — | — | 221.5 | — | |
| PAIRFLOW + RediSteps=42025.12 | — | — | 562.8 | — | |
| PAIRFLOW + RediSteps=82025.12 | — | — | 793.5 | — | |
| PAIRFLOW + RediSteps=162025.12 | — | — | 869.3 | — | |
| PAIRFLOW + RediSteps=322025.12 | — | — | 897.4 | — | |
| PAIRFLOW + RediSteps=642025.12 | — | — | 907 | — | |
| RandomSteps=12025.12 | — | — | 0.6 | — | |
| RandomSteps=22025.12 | — | — | 68.3 | — | |
| RandomSteps=42025.12 | — | — | 351.2 | — | |
| RandomSteps=82025.12 | — | — | 569.4 | — |