Update app.py

app.py

@@ -18,12 +18,14 @@ feature_columns = model_package['feature_columns']
 aa_list = model_package['aa_list']
 dipeptides = model_package['dipeptides']
 hydrophobicity_scale = model_package['hydrophobicity_scale']
+eisenberg_scale = model_package['eisenberg_scale']
 aa_mass = model_package['aa_mass']
 aa_charge = model_package['aa_charge']
 aa_boman = model_package['aa_boman']
 aa_flexibility = model_package['aa_flexibility']
 aa_polarizability = model_package['aa_polarizability']
 aa_aliphatic = model_package['aa_aliphatic']
+aa_deltaG = model_package['aa_deltaG']
 
 # --- Target cells ---
 TARGET_CELLS = ["Gram+", "Fungus", "Mammalian Cell", "Cancer", "Gram-"]
@@ -44,7 +46,7 @@ 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]*11
+        physchem_features = [0]*12
     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])
@@ -52,14 +54,15 @@ def extract_features_app(seq: str) -> pd.DataFrame:
         aromatic = np.mean([(dp[0] in 'FWY') + (dp[1] in 'FWY') for dp in dipeptides_seq]) / 2.0
         pI = np.mean([h(dp, {aa: 7 + (int(aa in 'KRH') - int(aa in 'DE')) for aa in aa_list}) for dp in dipeptides_seq])
         instability = np.mean([((dp[0] in 'DEKR') + (dp[1] in 'DEKR')) / 2.0 for dp in dipeptides_seq])
-        hydro_moment = np.sqrt(np.mean([(h(dp, hydrophobicity_scale))**2 for dp in dipeptides_seq]))
+        hydro_moment = np.sqrt(np.mean([(h(dp, eisenberg_scale))**2 for dp in dipeptides_seq]))
         aliphatic = np.mean([h(dp, aa_aliphatic) for dp in dipeptides_seq])
         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])
 
         physchem_features = [mw, charge, hydro, aromatic, pI, instability,
-                             hydro_moment, aliphatic, boman, flexibility, polarizability]
+                             hydro_moment, aliphatic, boman, flexibility, polarizability, deltag]
     
     features = dipep_features + physchem_features