app.py
CHANGED
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@@ -148,7 +148,7 @@ batch = psi4_test_batches[batchID]
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| 148 |
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| 149 |
#mono, dipo = apply_model(DCM1, test_weights, batch, batch_size)
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| 150 |
dcm1results = plot_model(DCM1, dcm1_weights, batch, batch_size, 1, plot=False)
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| 151 |
-
dcm2results = plot_model(DCM2, dcm2_weights, batch, batch_size,
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| 152 |
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| 153 |
atoms = dcm1results["atoms"]
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| 154 |
dcmol = dcm1results["dcmol"]
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| 148 |
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| 149 |
#mono, dipo = apply_model(DCM1, test_weights, batch, batch_size)
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| 150 |
dcm1results = plot_model(DCM1, dcm1_weights, batch, batch_size, 1, plot=False)
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| 151 |
+
dcm2results = plot_model(DCM2, dcm2_weights, batch, batch_size, 2, plot=False)
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| 152 |
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| 153 |
atoms = dcm1results["atoms"]
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| 154 |
dcmol = dcm1results["dcmol"]
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