diff --git a/mtenn/model.py b/mtenn/model.py index b23be30..ad8cef5 100644 --- a/mtenn/model.py +++ b/mtenn/model.py @@ -417,11 +417,20 @@ def __init__(self, substrate: Optional[float] = None, Km: Optional[float] = None """ super(PIC50Readout, self).__init__() + self.substrate = substrate + self.Km = Km + if substrate and Km: self.cp_val = 1 + substrate / Km else: self.cp_val = None + def __repr__(self): + return f"PIC50Readout(substrate={self.substrate}, Km={self.Km})" + + def __str__(self): + return repr(self) + def forward(self, delta_g): """ Method to convert a predicted delta G value into a pIC50 value.