Spaces:
Running
Running
Takashi Itoh
commited on
Commit
•
3c1e14c
1
Parent(s):
6c9555d
Merge latest code
Browse files- app.py +1 -1
- data/lce/test.csv +31 -0
- data/lce/test_data.csv +14 -0
- data/lce/train.csv +121 -0
- data/lce/train_data.csv +148 -0
- representation/.gitattributes +9 -0
- representation/bace_MorganFingerprint.pkl +3 -0
app.py
CHANGED
@@ -45,7 +45,7 @@ smiles_image_mapping = {
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datasets = [" ", "BACE", "ESOL", "Load Custom Dataset"]
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-
models_enabled = ["SELFIES-TED", "MHG-GED", "MolFormer", "SMI-TED"]
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fusion_available = ["Concat"]
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datasets = [" ", "BACE", "ESOL", "Load Custom Dataset"]
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+
models_enabled = ["SELFIES-TED", "MHG-GED", "MolFormer", "SMI-TED", "Mordred", "MorganFingerprint"]
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fusion_available = ["Concat"]
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data/lce/test.csv
ADDED
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smi1,conc1,smi2,conc2,smi3,conc3,smi4,conc4,smi5,conc5,smi6,conc6,LCE
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data/lce/test_data.csv
ADDED
@@ -0,0 +1,14 @@
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smiles1,conc1,mol1,smiles2,conc2,mol2,smiles3,conc3,mol3,smiles4,conc4,mol4,smiles5,conc5,mol5,smiles6,conc6,LCE_Predicted,LCE
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data/lce/train.csv
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data/lce/train_data.csv
ADDED
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