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Create pdb_structure_metrics.txt

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  1. pdb_structure_metrics.txt +221 -0
pdb_structure_metrics.txt ADDED
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+ --------------------------------------------------
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+ Train:
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 54/54 [00:01<00:00, 30.06it/s]
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+ Dataset: GTP_Training.txt
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+ Accuracy: 0.8374
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+ Precision: 0.1140
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+ Recall: 0.5597
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+ F1 Score: 0.1895
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+ AUC: 0.7035
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+ MCC: 0.1978
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 82/82 [00:02<00:00, 31.59it/s]
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+ Dataset: GDP_Training.txt
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+ Accuracy: 0.8472
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+ Precision: 0.1575
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+ Recall: 0.6431
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+ F1 Score: 0.2531
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+ AUC: 0.7494
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+ MCC: 0.2646
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 172/172 [00:06<00:00, 27.80it/s]
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+ Dataset: FE_Training.txt
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+ Accuracy: 0.8128
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+ Precision: 0.0484
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+ Recall: 0.5746
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+ F1 Score: 0.0892
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+ AUC: 0.6956
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+ MCC: 0.1251
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 145/145 [00:04<00:00, 31.05it/s]
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+ Dataset: AMP_Training.txt
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+ Accuracy: 0.7763
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+ Precision: 0.0866
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+ Recall: 0.5677
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+ F1 Score: 0.1503
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+ AUC: 0.6757
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+ MCC: 0.1535
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 206/206 [00:06<00:00, 33.85it/s]
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+ Dataset: HEME_Training.txt
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+ Accuracy: 0.8367
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+ Precision: 0.1929
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+ Recall: 0.3199
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+ F1 Score: 0.2407
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+ AUC: 0.6010
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+ MCC: 0.1617
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 221/221 [00:07<00:00, 30.42it/s]
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+ Dataset: ATP_Training.txt
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+ Accuracy: 0.8307
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+ Precision: 0.1222
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+ Recall: 0.5210
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+ F1 Score: 0.1980
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+ AUC: 0.6823
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+ MCC: 0.1900
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 335/335 [00:09<00:00, 33.92it/s]
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+ Dataset: DNA_Training.txt
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+ Accuracy: 0.8127
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+ Precision: 0.1491
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+ Recall: 0.2667
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+ F1 Score: 0.1913
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+ AUC: 0.5644
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+ MCC: 0.1000
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 296/296 [00:09<00:00, 31.41it/s]
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+ Dataset: ADP_Training.txt
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+ Accuracy: 0.8433
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+ Precision: 0.1269
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+ Recall: 0.5432
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+ F1 Score: 0.2058
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+ AUC: 0.6991
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+ MCC: 0.2060
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 334/334 [00:10<00:00, 31.05it/s]
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+ Dataset: MN_Training.txt
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+ Accuracy: 0.8098
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+ Precision: 0.0407
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+ Recall: 0.5969
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+ F1 Score: 0.0762
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+ AUC: 0.7048
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+ MCC: 0.1182
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 1152/1152 [00:35<00:00, 32.45it/s]
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+ Dataset: ZN_Training.txt
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+ Accuracy: 0.8071
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+ Precision: 0.0371
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+ Recall: 0.4854
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+ F1 Score: 0.0689
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+ AUC: 0.6487
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+ MCC: 0.0908
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 1131/1131 [00:35<00:00, 32.23it/s]
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+ Dataset: MG_Training.txt
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+ Accuracy: 0.8084
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+ Precision: 0.0282
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+ Recall: 0.4953
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+ F1 Score: 0.0533
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+ AUC: 0.6536
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+ MCC: 0.0810
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 961/961 [00:31<00:00, 30.97it/s]
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+ Dataset: CA_Training.txt
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+ Accuracy: 0.8180
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+ Precision: 0.0254
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+ Recall: 0.2637
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+ F1 Score: 0.0464
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+ AUC: 0.5456
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+ MCC: 0.0309
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+ --------------------------------------------------
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+ Test:
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 27/27 [00:01<00:00, 17.65it/s]
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+ Dataset: HEME_Validation.txt
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+ Accuracy: 0.8702
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+ Precision: 0.1827
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+ Recall: 0.3052
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+ F1 Score: 0.2285
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+ AUC: 0.6067
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+ MCC: 0.1690
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 7/7 [00:00<00:00, 18.53it/s]
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+ Dataset: GTP_Validation.txt
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+ Accuracy: 0.7665
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+ Precision: 0.1198
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+ Recall: 0.6517
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+ F1 Score: 0.2024
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+ AUC: 0.7118
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+ MCC: 0.2046
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 14/14 [00:00<00:00, 19.74it/s]
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+ Dataset: GDP_Validation.txt
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+ Accuracy: 0.7885
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+ Precision: 0.1469
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+ Recall: 0.7835
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+ F1 Score: 0.2474
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+ AUC: 0.7861
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+ MCC: 0.2772
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 26/26 [00:01<00:00, 21.77it/s]
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+ Dataset: FE_Validation.txt
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+ Accuracy: 0.8219
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+ Precision: 0.0443
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+ Recall: 0.6167
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+ F1 Score: 0.0827
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+ AUC: 0.7206
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+ MCC: 0.1299
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 58/58 [00:01<00:00, 29.45it/s]
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+ Dataset: MN_Validation.txt
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+ Accuracy: 0.8022
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+ Precision: 0.0376
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+ Recall: 0.5612
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+ F1 Score: 0.0705
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+ AUC: 0.6833
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+ MCC: 0.1054
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 33/33 [00:01<00:00, 22.77it/s]
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+ Dataset: AMP_Validation.txt
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+ Accuracy: 0.7724
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+ Precision: 0.0941
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+ Recall: 0.6071
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+ F1 Score: 0.1629
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+ AUC: 0.6929
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+ MCC: 0.1705
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 52/52 [00:02<00:00, 22.27it/s]
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+ Dataset: DNA_Validation.txt
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+ Accuracy: 0.8643
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+ Precision: 0.1184
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+ Recall: 0.2169
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+ F1 Score: 0.1532
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+ AUC: 0.5600
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+ MCC: 0.0910
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 50/50 [00:01<00:00, 33.31it/s]
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+ Dataset: ATP_Validation.txt
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+ Accuracy: 0.8333
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+ Precision: 0.1174
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+ Recall: 0.5301
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+ F1 Score: 0.1923
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+ AUC: 0.6876
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+ MCC: 0.1900
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 47/47 [00:01<00:00, 31.10it/s]
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+ Dataset: ADP_Validation.txt
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+ Accuracy: 0.8338
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+ Precision: 0.1048
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+ Recall: 0.5423
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+ F1 Score: 0.1756
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+ AUC: 0.6929
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+ MCC: 0.1830
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 176/176 [00:05<00:00, 30.12it/s]
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+ Dataset: ZN_Validation.txt
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+ Accuracy: 0.8164
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+ Precision: 0.0383
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+ Recall: 0.4556
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+ F1 Score: 0.0706
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+ AUC: 0.6388
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+ MCC: 0.0883
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 165/165 [00:05<00:00, 31.37it/s]
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+ Dataset: CA_Validation.txt
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+ Accuracy: 0.8251
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+ Precision: 0.0248
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+ Recall: 0.2917
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+ F1 Score: 0.0458
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+ AUC: 0.5623
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+ MCC: 0.0396
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+ --------------------------------------------------
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+ Processing rows: 100%|β–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆβ–ˆ| 217/217 [00:07<00:00, 29.72it/s]
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+ Dataset: MG_Validation.txt
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+ Accuracy: 0.8223
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+ Precision: 0.0249
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+ Recall: 0.3721
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+ F1 Score: 0.0467
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+ AUC: 0.5998
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+ MCC: 0.0565
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+ --------------------------------------------------