ChemBERTa-2: Towards Chemical Foundation Models

Benchmark Model Rank Results
molecular-property-prediction-onChemBERTa-2 (MTR-77M)#8RMSE: 0.798
molecular-property-prediction-on-bace-1ChemBERTa-2 (MTR-77M)#11ROC-AUC: 79.9RMSE: 1.363
molecular-property-prediction-on-bbbp-1ChemBERTa-2 (MTR-77M)#16ROC-AUC: 72.8
molecular-property-prediction-on-clintox-1ChemBERTa-2 (MTR-77M)#17ROC-AUC: 56.3Molecules (M): 77
molecular-property-prediction-on-esolChemBERTa-2 (MTR-77M)#17RMSE: 0.889