A Bayesian Flow Network Framework for Chemistry Tasks

Benchmark Model Rank Results
molecular-property-prediction-onChemBFN#6RMSE: 0.746
molecular-property-prediction-on-bace-1ChemBFN#14ROC-AUC: 73.56
molecular-property-prediction-on-bbbp-1ChemBFN#1ROC-AUC: 95.74
molecular-property-prediction-on-clintox-1ChemBFN#2ROC-AUC: 99.18
molecular-property-prediction-on-esolChemBFN#16RMSE: 0.884
molecular-property-prediction-on-freesolvChemBFN#11RMSE: 1.418
molecular-property-prediction-on-hiv-1ChemBFN#3ROC-AUC: 79.37
molecular-property-prediction-on-hiv-datasetChemBFN#3AUC: 0.794