yzimmermann commited on
Commit
4ad1832
·
verified ·
1 Parent(s): 8d1f6c6

Update app.py

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Files changed (1) hide show
  1. app.py +4 -3
app.py CHANGED
@@ -2,6 +2,7 @@ from rdkit import Chem
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  from rdkit.Chem import Draw
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  from transformers import pipeline
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  import gradio as gr
 
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  model_checkpoint = "FartLabs/FART_Augmented"
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  classifier = pipeline("text-classification", model=model_checkpoint, top_k=None)
@@ -17,9 +18,9 @@ def process_smiles(smiles):
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  predictions = classifier(canonical_smiles)
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  # Generate molecule image
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- img_path = "molecule.png"
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- img = Draw.MolToImage(mol)
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- img.save(img_path)
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  # Convert predictions to a friendly format
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  prediction_dict = {pred["label"]: pred["score"] for pred in predictions[0]}
 
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  from rdkit.Chem import Draw
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  from transformers import pipeline
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  import gradio as gr
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+ from interpretability import save_high_quality_png
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  model_checkpoint = "FartLabs/FART_Augmented"
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  classifier = pipeline("text-classification", model=model_checkpoint, top_k=None)
 
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  predictions = classifier(canonical_smiles)
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  # Generate molecule image
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+ img_path = "molecule"
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+ filepath= "molecule.png"
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+ save_high_quality_png(smiles, molecule)
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  # Convert predictions to a friendly format
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  prediction_dict = {pred["label"]: pred["score"] for pred in predictions[0]}