Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model

Benchmark Model Rank Results
molecular-property-prediction-onSPMM#4RMSE: 0.706
molecular-property-prediction-on-bace-1SPMM#7ROC-AUC: 83.0RMSE: 1.108
molecular-property-prediction-on-bbbp-1SPMM#13ROC-AUC: 73.3
molecular-property-prediction-on-clintox-1SPMM#5ROC-AUC: 91.0
molecular-property-prediction-on-esolSPMM#14RMSE: 0.810
molecular-property-prediction-on-freesolvSPMM#15RMSE: 1.859
molecular-property-prediction-on-sider-1SPMM#9ROC-AUC: 64.7