Upload app.py

app.py

@@ -6,7 +6,48 @@ import gradio as gr
 from glycowork.ml.processing import dataset_to_dataloader
 import numpy as np
 import torch
+from glycowork.glycan_data.loader import lib
 
+# Update lib
+equivalence_classes = [                     
+["Glc", "Man", "Gal", "Gul", "Alt", "All", "Tal", "Ido" ],
+["GlcNAc", "ManNAc", "GalNAc", "GulNAc", "AltNAc", "AllNAc", "TalNAc", "IdoNAc"],
+["GlcN", "ManN", "GalN", "GulN", "AltN", "AllN", "TalN", "IdoN"],
+["GlcA", "ManA", "GalA", "GulA", "AltA", "AllA", "TalA", "IdoA"],
+["Qui", "Rha", "6dGul", "6dAlt", "6dTal", "Fuc"],
+["QuiNAc", "RhaNAc", "6dAltNAc", "6dTalNAc", "FucNAc"],
+["Oli", "Tyv", "Abe", "Par", "Dig", "Col"],
+["Ara", "Lyx", "Xyl", "Rib"],
+["Kdn", "Neu5Ac", "Neu5Gc", "Neu", "Sia"],
+["Pse", "Leg", "Aci", "4eLeg"],
+["Bac", "LDmanHep", "Kdo", "Dha", "DDmanHep", "MurNAc", "MurNGc", "Mur", "Api", "Fru", "Tag", "Sor", "Psi"]
+]
+
+linkage_classes = [    
+  ["a1-2", "a1-z", "z1-2", "z1-z"],
+  ["a1-3", "a1-z", "z1-3", "z1-z"],
+  ["a1-4", "a1-z", "z1-4", "z1-z"],
+  ["a1-6", "a1-z", "z1-6", "z1-z"],
+  ["b1-2", "b1-z", "z1-2", "z1-z"],
+  ["b1-3", "b1-z", "z1-3", "z1-z"],
+  ["b1-4", "b1-z", "z1-4", "z1-z"],
+  ["b1-6", "b1-z", "z1-6", "z1-z"],
+  ["a2-3", "a2-z", "z2-3", "z2-z"],
+  ["a2-6", "a2-z", "z2-6", "z2-z"],
+  ["a2-8", "a2-z", "z2-8", "z2-z"]
+  ]
+
+# Update lib
+print(len(lib))
+for equivalence_class in equivalence_classes:
+  for target in equivalence_class:
+    if target not in lib:
+      lib.append(target)
+for linkage_class in linkage_classes:
+  for target in linkage_class:
+    if target not in lib:
+      lib.append(target)
+print(len(lib))
 
 def fn(model, class_list):
   def f(glycan):