moldenhof commited on
Commit
4986573
·
1 Parent(s): d1ca99b

improving layout

Browse files
Files changed (1) hide show
  1. app.py +9 -1
app.py CHANGED
@@ -8,7 +8,7 @@ import numpy as np
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  from AtomLenz import *
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  #from utils_graph import *
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  from Object_Smiles import Objects_Smiles
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-
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  #from robust_detection import wandb_config
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  from robust_detection import utils
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  from robust_detection.models.rcnn import RCNN
@@ -198,8 +198,16 @@ def atomlenz(modelfile):
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  predictions_list.append([image_idx,pred_smiles,problematic])
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  file_preds = open('preds_atomlenz','w')
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  for pred in predictions_list:
 
 
 
 
 
 
 
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  print(pred)
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  #### TRYOUT MENU #####
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  page_to_funcs = {
 
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  from AtomLenz import *
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  #from utils_graph import *
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  from Object_Smiles import Objects_Smiles
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+ from rdkit import Chem
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  #from robust_detection import wandb_config
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  from robust_detection import utils
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  from robust_detection.models.rcnn import RCNN
 
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  predictions_list.append([image_idx,pred_smiles,problematic])
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  file_preds = open('preds_atomlenz','w')
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  for pred in predictions_list:
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+ smiles = pred[1]
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+ m = Chem.MolFromSmiles(smiles)
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+ if m is None:
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+ st.write("No valid chemical structure recognized")
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+ else:
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+ img = Chem.Draw.MolToImage(m)
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+ st.image(img, caption=f"{smiles}", use_column_width=True)
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  print(pred)
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+
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  #### TRYOUT MENU #####
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  page_to_funcs = {