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Commit
d135347
1 Parent(s): fb1e7c8

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Files changed (1) hide show
  1. app.py +2 -2
app.py CHANGED
@@ -79,7 +79,7 @@ smiles_image_mapping = {
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  "Mol 5": {"smiles": "C=CCS[C@@H](C)CC(=O)OCC", "image": "img/img5.png"} # Example SMILES for chloroethane
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  }
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- datasets = ["BACE", "ESOL", "Custom Dataset"]
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  models_enabled = ["SELFIES-TED", "MHG-GED", "MolFormer", "SMI-TED"]
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@@ -393,7 +393,7 @@ def display_plot(plot_type):
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  # Predefined dataset paths (these should be adjusted to your file paths)
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  predefined_datasets = {
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- "Bace": f"./data/bace/train.csv, ./data/bace/test.csv, smiles, Class",
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  "ESOL": f"./data/esol/train.csv, ./data/esol/test.csv, smiles, prop",
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  }
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  "Mol 5": {"smiles": "C=CCS[C@@H](C)CC(=O)OCC", "image": "img/img5.png"} # Example SMILES for chloroethane
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  }
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+ datasets = ["","BACE", "ESOL", "Custom Dataset"]
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  models_enabled = ["SELFIES-TED", "MHG-GED", "MolFormer", "SMI-TED"]
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  # Predefined dataset paths (these should be adjusted to your file paths)
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  predefined_datasets = {
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+ "BACE": f"./data/bace/train.csv, ./data/bace/test.csv, smiles, Class",
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  "ESOL": f"./data/esol/train.csv, ./data/esol/test.csv, smiles, prop",
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  }
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