From 65f6eb76adabf2f033abf7267b9ec287dbeb1f67 Mon Sep 17 00:00:00 2001 From: yvesnana Date: Wed, 24 Apr 2024 07:38:09 -0400 Subject: [PATCH] fix: fixed enzyme optmization with Kcat fitness function Signed-off-by: yvesnana --- src/gt4sd/frameworks/enzeptional/core.py | 24 ------------------------ 1 file changed, 24 deletions(-) diff --git a/src/gt4sd/frameworks/enzeptional/core.py b/src/gt4sd/frameworks/enzeptional/core.py index 14f2dc2b4..7639c2616 100644 --- a/src/gt4sd/frameworks/enzeptional/core.py +++ b/src/gt4sd/frameworks/enzeptional/core.py @@ -341,30 +341,6 @@ def get_mutations( return random.sample(mutated_sequences_set, num_sequences) -<<<<<<< HEAD -======= -class Scorer: - def __init__(self, scorer_filepath: str, scaler_filepath: Optional[str] = None): - """Initialize the scorer. - Args: - scorer_filepath (str): Pickled scorer filepath. - scaler_filepath (Optional[str], optional): Pickled scaler filepath. Defaults to None. - """ - self.scorer_filepath = scorer_filepath - self.scorer = load(scorer_filepath) - if scaler_filepath is not None: - self.scaler = load(scaler_filepath) - - def predict_proba(self, feature_vector): - return self.scorer.predict_proba(feature_vector) - - def predict(self, feature_vector): - if self.scaler is not None: - feature_vector = self.scaler.transform(feature_vector) - return self.scorer.predict(xgb.DMatrix(feature_vector)) - - ->>>>>>> 4d4c6fc (fix: fixed enzyme optmization with Kcat fitness function) class EnzymeOptimizer: """ Optimizes protein sequences based on interaction with