diff --git a/src/boltzgen/data/const.py b/src/boltzgen/data/const.py index 004384ec..41a019bf 100755 --- a/src/boltzgen/data/const.py +++ b/src/boltzgen/data/const.py @@ -3475,7 +3475,6 @@ "design_ipsae_min", "design_to_target_ipsae", "target_to_design_ipsae", - "ligand_iptm", "complex_plddt", "complex_iplddt", "complex_pde", diff --git a/src/boltzgen/task/filter/filter.py b/src/boltzgen/task/filter/filter.py index bbb31b2e..44bc0d86 100644 --- a/src/boltzgen/task/filter/filter.py +++ b/src/boltzgen/task/filter/filter.py @@ -408,7 +408,7 @@ def filter_df(self): else: self.df[filter_col] = self.df[feat] >= threshold - self.df["num_filters_passed"] += self.df[filter_cols].all(axis=1) + self.df["num_filters_passed"] += self.df[filter_col].astype(int) self.df["pass_filters"] = self.df[filter_cols].all(axis=1) msg = f"Num designs that pass the {feat} filter with threshold {threshold} where {'lower' if low else 'higher'} is better: {self.df[filter_col].sum()}"