Fig. 7. Benchmark performances for biophysics tasks: PCBA, 4 models are evaluated by AUC-PRC on random split; MUV, 8 models are evaluated by AUC-PRC on random split; HIV, 8 models are evaluated by AUC-ROC on scaffold split; BACE, 9 models are evaluated by AUC-ROC on scaffold split. For AUC-ROC and AUC-PRC, higher value indicates better performance (to the right).