Uni-Mol: A Universal 3D Molecular Representation Learning Framework

Benchmark Model Rank Results
molecular-property-prediction-onUni-Mol#1RMSE: 0.603
molecular-property-prediction-on-bace-1Uni-Mol#3ROC-AUC: 85.7
molecular-property-prediction-on-bbbp-1Uni-Mol#14ROC-AUC: 72.9
molecular-property-prediction-on-clintox-1Uni-Mol#4ROC-AUC: 91.9Molecules (M): 19
molecular-property-prediction-on-esolUni-Mol#13RMSE: 0.788
molecular-property-prediction-on-freesolvUni-Mol#13RMSE: 1.620
molecular-property-prediction-on-hiv-1Uni-Mol#2ROC-AUC: 80.8
molecular-property-prediction-on-muv-1Uni-Mol#2ROC-AUC: 82.1
molecular-property-prediction-on-qm7Uni-Mol#1MAE: 41.8
molecular-property-prediction-on-qm8Uni-Mol#1MAE: 0.0156
molecular-property-prediction-on-qm9Uni-Mol#1MAE: 0.00467
molecular-property-prediction-on-sider-1Uni-Mol#5ROC-AUC: 65.9
molecular-property-prediction-on-tox21-1Uni-Mol#4ROC-AUC: 79.6
molecular-property-prediction-on-toxcast-1Uni-Mol#2ROC-AUC: 69.6