add lopster classifiers

Author: sfluegel05

chebifier/model_registry.py

@@ -12,6 +12,8 @@
 from chebifier.prediction_models.c3p_predictor import C3PPredictor
 from chebifier.prediction_models.chemlog_predictor import (
     ChemlogAllPredictor,
+    ChemLogLopsterClingoPredictor,
+    ChemlogLopsterPredictor,
     ChemlogOrganoXCompoundPredictor,
     ChemlogXMolecularEntityPredictor,
 )
@@ -33,6 +35,8 @@
     "chebi_lookup": ChEBILookupPredictor,
     "chemlog_element": ChemlogXMolecularEntityPredictor,
     "chemlog_organox": ChemlogOrganoXCompoundPredictor,
+    "lopster": ChemlogLopsterPredictor,
+    "lopster_clingo": ChemLogLopsterClingoPredictor,
     "c3p": C3PPredictor,
 }
 

chebifier/prediction_models/chemlog_predictor.py

@@ -107,6 +107,22 @@ def __init__(self, model_name: str, **kwargs):
         self.classifier = OrganoXCompoundClassifier(chebi_graph=self.chebi_graph)
 
 
+class ChemlogLopsterPredictor(ChemlogExtraPredictor):
+    def __init__(self, model_name: str, **kwargs):
+        from chemlog.lopster.lopster_classifier import LopsterClassifier
+
+        super().__init__(model_name, **kwargs)
+        self.classifier = LopsterClassifier()
+
+
+class ChemLogLopsterClingoPredictor(ChemlogExtraPredictor):
+    def __init__(self, model_name: str, **kwargs):
+        from chemlog.lopster.lopster_classifier import LopsterClingoClassifier
+
+        super().__init__(model_name, **kwargs)
+        self.classifier = LopsterClingoClassifier()
+
+
 class ChemlogPeptidesPredictor(BasePredictor):
     def __init__(self, model_name: str, **kwargs):
         from chemlog.cli import CLASSIFIERS