Molecule Generation on QM9 2014
206.5Novelty ScoreMDLM
Evaluation results
| Method | Links | |
|---|---|---|
| MDLMSampling Steps=322025.12 | 206.5 | |
| MDLMSampling Steps=642025.12 | 193.6 | |
| UDLM + DCDSampling Steps=82025.12 | 186.2 | |
| UDLM + DCDSampling Steps=42025.12 | 185.5 | |
| UDLM + DCDSampling Steps=162025.12 | 173.4 | |
| MDLMSampling Steps=162025.12 | 172.2 | |
| UDLM + DCDSampling Steps=322025.12 | 168 | |
| UDLM + DCDSampling Steps=642025.12 | 165.4 | |
| RandomSampling Steps=82025.12 | 156.8 | |
| UDLMSampling Steps=82025.12 | 152.4 | |
| RandomSampling Steps=642025.12 | 150.1 | |
| UDLMSampling Steps=322025.12 | 147.2 | |
| RandomSampling Steps=322025.12 | 146.5 | |
| PAIRFLOW + DCDSampling Steps=42025.12 | 146.2 | |
| UDLM + DCDSampling Steps=12025.12 | 145.9 | |
| RandomSampling Steps=162025.12 | 145.5 | |
| UDLMSampling Steps=642025.12 | 145.1 | |
| UDLMSampling Steps=162025.12 | 144.2 | |
| PAIRFLOW + DCDSampling Steps=322025.12 | 140.1 | |
| PAIRFLOW + DCDSampling Steps=82025.12 | 139.2 | |
| UDLM + DCDSampling Steps=22025.12 | 137.5 | |
| PAIRFLOW + DCDSampling Steps=22025.12 | 136.1 | |
| PAIRFLOW + DCDSampling Steps=642025.12 | 133.2 | |
| PAIRFLOW + DCDSampling Steps=162025.12 | 131.8 | |
| RandomSampling Steps=42025.12 | 128.8 | |
| MDLMSampling Steps=82025.12 | 127.4 | |
| UDLM + RediSampling Steps=82025.12 | 126.8 | |
| UDLM + RediSampling Steps=322025.12 | 120.2 | |
| UDLMSampling Steps=42025.12 | 120 | |
| UDLM + RediSampling Steps=642025.12 | 117.6 | |
| UDLM + RediSampling Steps=162025.12 | 116.3 | |
| UDLM + RediSampling Steps=42025.12 | 110.4 | |
| PAIRFLOW + DCDSampling Steps=12025.12 | 110.3 | |
| PAIRFLOWSampling Steps=642025.12 | 110 | |
| PAIRFLOWSampling Steps=42025.12 | 109.2 | |
| PAIRFLOWSampling Steps=322025.12 | 108.9 | |
| PAIRFLOWSampling Steps=162025.12 | 106.5 | |
| PAIRFLOW + RediSampling Steps=42025.12 | 101.1 | |
| PAIRFLOW + RediSampling Steps=642025.12 | 98.9 | |
| PAIRFLOW + RediSampling Steps=162025.12 | 98.8 | |
| PAIRFLOW + RediSampling Steps=82025.12 | 98.6 | |
| PAIRFLOWSampling Steps=82025.12 | 96.8 | |
| PAIRFLOW + RediSampling Steps=322025.12 | 95.8 | |
| PAIRFLOW + RediSampling Steps=22025.12 | 92 | |
| PAIRFLOWSampling Steps=22025.12 | 85.6 | |
| PAIRFLOW + RediSampling Steps=12025.12 | 84.2 | |
| UDLM + RediSampling Steps=22025.12 | 73.3 | |
| PAIRFLOWSampling Steps=12025.12 | 68.8 | |
| RandomSampling Steps=22025.12 | 66.5 | |
| MDLMSampling Steps=42025.12 | 56.3 | |
| UDLMSampling Steps=22025.12 | 52 | |
| UDLM + RediSampling Steps=12025.12 | 31.4 | |
| RandomSampling Steps=12025.12 | 26.9 | |
| MDLMSampling Steps=22025.12 | 23.6 | |
| MDLMSampling Steps=12025.12 | 15.4 | |
| UDLMSampling Steps=12025.12 | 13.8 |