Molecular Generation on GEOM Drugs
100ValidityGEOM-Drugs
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| GEOM-Drugs2025.07 | 100 | 0 | 90 | 94 | — | — | |
| ADIT#Params.=150M2025.07 | 98 | 97 | 91 | 86 | 46.36 | 521.21 | |
| TABASCO-hot#Params.=15M2025.07 | 98 | 93 | 88 | 91 | 14.16 | 10.67 | |
| TABASCO-spicy#Params.=59M, Guidance=false2025.07 | 97 | 90 | 89 | 92 | 15.07 | 19.77 | |
| TABASCO-spicy#Params.=59M, Guidance=true2025.07 | 97 | 92 | 89 | 94 | 19.23 | 131.8 | |
| TABASCO-mild#Params.=3.7M2025.07 | 95 | 93 | 89 | 85 | 21.32 | 5.9 | |
| EQGAT-diff#Params.=12M2025.07 | 94 | 94 | 90 | 81 | 360.19 | 4,310.94 | |
| SemlaFlow#Params.=22M2025.07 | 93 | 93 | 91 | 88 | 18.2 | 201.22 | |
| FlowMol#Params.=4.3M2025.07 | 81 | 81 | 91 | 64 | 34.2 | 362.22 |