Rename extendedFuture_app.py to app.py

extendedFuture_app.py → app.py

@@ -27,7 +27,7 @@ aa_boman = model_package.get('aa_boman', {})
 aa_flexibility = model_package.get('aa_flexibility', {})
 aa_polarizability = model_package.get('aa_polarizability', {})
 aa_aliphatic = model_package.get('aa_aliphatic', {})
-aa_deltaG = model_package.get('aa_deltaG', {})
+#aa_deltaG = model_package.get('aa_deltaG', {})
 
 # --- Target cells ---
 TARGET_CELLS = ["Gram+", "Fungus", "Mammalian Cell", "Cancer", "Gram-"]
@@ -48,7 +48,7 @@ def extract_features_app(seq: str) -> pd.DataFrame:
     dipeptides_seq = [seq[i:i+2] for i in range(len(seq)-1)]
     
     if len(seq) < 2:
-        physchem_features = [0]*12
+        physchem_features = [0]*11
     else:
         mw = np.mean([h(dp, aa_mass) for dp in dipeptides_seq])
         charge = np.mean([h(dp, aa_charge) for dp in dipeptides_seq])
@@ -61,10 +61,10 @@ def extract_features_app(seq: str) -> pd.DataFrame:
         boman = np.mean([h(dp, aa_boman) for dp in dipeptides_seq])
         flexibility = np.mean([h(dp, aa_flexibility) for dp in dipeptides_seq])
         polarizability = np.mean([h(dp, aa_polarizability) for dp in dipeptides_seq])
-        deltag = np.mean([h(dp, aa_deltaG) for dp in dipeptides_seq])
+        #deltag = np.mean([h(dp, aa_deltaG) for dp in dipeptides_seq])
 
         physchem_features = [mw, charge, hydro, aromatic, pI, instability,
-                             hydro_moment, aliphatic, boman, flexibility, polarizability, deltag]
+                             hydro_moment, aliphatic, boman, flexibility, polarizability]
     
     features = dipep_features + physchem_features