Spaces:
Running
Running
update app.py
Browse files
app.py
CHANGED
@@ -79,7 +79,7 @@ smiles_image_mapping = {
|
|
79 |
"Mol 5": {"smiles": "C=CCS[C@@H](C)CC(=O)OCC", "image": "img/img5.png"} # Example SMILES for chloroethane
|
80 |
}
|
81 |
|
82 |
-
datasets = ["Load Custom Dataset"]
|
83 |
|
84 |
models_enabled = ["SELFIES-TED", "MHG-GED", "MolFormer", "SMI-TED"]
|
85 |
|
@@ -407,8 +407,9 @@ def display_plot(plot_type):
|
|
407 |
|
408 |
# Predefined dataset paths (these should be adjusted to your file paths)
|
409 |
predefined_datasets = {
|
410 |
-
|
411 |
-
|
|
|
412 |
}
|
413 |
|
414 |
|
|
|
79 |
"Mol 5": {"smiles": "C=CCS[C@@H](C)CC(=O)OCC", "image": "img/img5.png"} # Example SMILES for chloroethane
|
80 |
}
|
81 |
|
82 |
+
datasets = [" ", "BACE", "ESOL", "Load Custom Dataset"]
|
83 |
|
84 |
models_enabled = ["SELFIES-TED", "MHG-GED", "MolFormer", "SMI-TED"]
|
85 |
|
|
|
407 |
|
408 |
# Predefined dataset paths (these should be adjusted to your file paths)
|
409 |
predefined_datasets = {
|
410 |
+
" ": " ",
|
411 |
+
"BACE": f"./data/bace/train.csv, ./data/bace/test.csv, smiles, Class",
|
412 |
+
"ESOL": f"./data/esol/train.csv, ./data/esol/test.csv, smiles, prop",
|
413 |
}
|
414 |
|
415 |
|