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Update app.py
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app.py
CHANGED
@@ -20,7 +20,32 @@ device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
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protbert_model = protbert_model.to(device).eval()
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# Define selected features (put your complete list here)
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selected_features = [
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# Dummy data for LIME
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sample_data = np.random.rand(100, len(selected_features))
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protbert_model = protbert_model.to(device).eval()
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# Define selected features (put your complete list here)
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selected_features = ["_SolventAccessibilityC3", "_SecondaryStrC1", "_SecondaryStrC3", "_ChargeC1", "_PolarityC1",
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"_NormalizedVDWVC1", "_HydrophobicityC3", "_SecondaryStrT23", "_PolarizabilityD1001", "_PolarizabilityD2001",
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"_PolarizabilityD3001", "_SolventAccessibilityD1001", "_SolventAccessibilityD2001", "_SolventAccessibilityD3001",
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"_SecondaryStrD1001", "_SecondaryStrD1075", "_SecondaryStrD2001", "_SecondaryStrD3001", "_ChargeD1001",
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"_ChargeD1025", "_ChargeD2001", "_ChargeD3075", "_ChargeD3100", "_PolarityD1001", "_PolarityD1050",
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"_PolarityD2001", "_PolarityD3001", "_NormalizedVDWVD1001", "_NormalizedVDWVD2001", "_NormalizedVDWVD2025",
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"_NormalizedVDWVD2050", "_NormalizedVDWVD3001", "_HydrophobicityD1001", "_HydrophobicityD2001",
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"_HydrophobicityD3001", "_HydrophobicityD3025", "A", "R", "D", "C", "E", "Q", "H", "I", "M", "P", "Y", "V",
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"AR", "AV", "RC", "RL", "RV", "CR", "CC", "CL", "CK", "EE", "EI", "EL", "HC", "IA", "IL", "IV", "LA", "LC", "LE",
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"LI", "LT", "LV", "KC", "MA", "MS", "SC", "TC", "TV", "YC", "VC", "VE", "VL", "VK", "VV",
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"MoreauBrotoAuto_FreeEnergy30", "MoranAuto_Hydrophobicity2", "MoranAuto_Hydrophobicity4",
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"GearyAuto_Hydrophobicity20", "GearyAuto_Hydrophobicity24", "GearyAuto_Hydrophobicity26",
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"GearyAuto_Hydrophobicity27", "GearyAuto_Hydrophobicity28", "GearyAuto_Hydrophobicity29",
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"GearyAuto_Hydrophobicity30", "GearyAuto_AvFlexibility22", "GearyAuto_AvFlexibility26",
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"GearyAuto_AvFlexibility27", "GearyAuto_AvFlexibility28", "GearyAuto_AvFlexibility29", "GearyAuto_AvFlexibility30",
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"GearyAuto_Polarizability22", "GearyAuto_Polarizability24", "GearyAuto_Polarizability25",
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"GearyAuto_Polarizability27", "GearyAuto_Polarizability28", "GearyAuto_Polarizability29",
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"GearyAuto_Polarizability30", "GearyAuto_FreeEnergy24", "GearyAuto_FreeEnergy25", "GearyAuto_FreeEnergy30",
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"GearyAuto_ResidueASA21", "GearyAuto_ResidueASA22", "GearyAuto_ResidueASA23", "GearyAuto_ResidueASA24",
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"GearyAuto_ResidueASA30", "GearyAuto_ResidueVol21", "GearyAuto_ResidueVol24", "GearyAuto_ResidueVol25",
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"GearyAuto_ResidueVol26", "GearyAuto_ResidueVol28", "GearyAuto_ResidueVol29", "GearyAuto_ResidueVol30",
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"GearyAuto_Steric18", "GearyAuto_Steric21", "GearyAuto_Steric26", "GearyAuto_Steric27", "GearyAuto_Steric28",
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"GearyAuto_Steric29", "GearyAuto_Steric30", "GearyAuto_Mutability23", "GearyAuto_Mutability25",
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"GearyAuto_Mutability26", "GearyAuto_Mutability27", "GearyAuto_Mutability28", "GearyAuto_Mutability29",
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"GearyAuto_Mutability30", "APAAC1", "APAAC4", "APAAC5", "APAAC6", "APAAC8", "APAAC9", "APAAC12", "APAAC13",
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"APAAC15", "APAAC18", "APAAC19", "APAAC24"]
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# Dummy data for LIME
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sample_data = np.random.rand(100, len(selected_features))
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