class CalMetric: def __init__(self): pass def diversity(self, S_pred, S_ref): pass def recovery(self, S_pred, S_ref): pass def MSE(self, S_pred, S_ref): ''' 输入: S_pred是算法预测的蛋白序列, S_ref是ground truth蛋白序列 -->通过ESMFold预测S_pred和S_ref的蛋白结构, 并进行对齐, 计算MSE 返回: MSE ''' X_pred = ESMFold(S_pred) S_ref = ESMFold(S_ref) X_pred, X_ref = align(X_pred, X_ref) result = ComputeMSE(X_pred, X_ref) return result def Robustness(self, model, X, S): pass def Efficiency(self, model, X, S): pass