ResearchBenchmarksPhenotype-guided Molecular Generation on RCSB PDB and DTC Target: CTSKPhenotype-guided Molecular Generation on RCSB PDB and DTC Target: CTSKFollow-5.33AffinityGxVAEs-5.4684-4.5342-3.6-2.6658Sep 25, 2025Evaluation resultsMethodMethodLinksAffinityQEDSA ScoreGxVAEs2025.09-5.3359.73.011XMolRL2025.09-5.0767.53XMolRL2025.09-5.0767.53SmilesGEN2025.09-4.8160.42.97Pocket2Mol2025.09-4.6772.32.803SBMolGen2025.09-4.6171.33.032SBDD-3D2025.09-4.5567.24.98TRIOMPHE2025.09-1.8739.94.47