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README.md

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@@ -197,18 +197,18 @@ The script generates a CSV file summarizing the evaluation results. Each row cor
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- *_auroc: AUROC from ROC analysis, measuring how well the EMA method distinguishes high-quality models (top 25%) from others.
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## III. Reproducing EMA evaluation results in PSBench
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## III. Reproducing the evaluation results of GATE and other EMA methods in PSBench
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### Blind Prediction Results of Estimating the Accuracy of CASP16 In-house Models
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Note: Replace $DATADIR with the path where the CASP16_inhouse_TOP5_dataset is downloaded.
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#### Evaluation using TM-score
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#### Evaluation in terms of TM-score
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```
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python scripts/evaluate_QA.py --input_dir ./Predictions/CASP16_inhouse_TOP5_dataset/ --native_dir $DATADIR/Quality_Scores/ --true_score_field tmscore_usalign_aligned
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```
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#### Evaluation using DockQ
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#### Evaluation in terms of DockQ score
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```
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python scripts/evaluate_QA.py --input_dir ./Predictions/CASP16_inhouse_TOP5_dataset/ --native_dir $DATADIR/Quality_Scores/ --true_score_field dockq_wave
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```
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python scripts/evaluate_QA.py --input_dir ./Predictions/CASP16_community_dataset/ --native_dir $DATADIR/Quality_Scores/ --true_score_field tmscore_mmalign
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```
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## IIII. Scripts to generate labels for a new benchmark dataset
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## IV. Scripts to generate labels for a new benchmark dataset
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Users can use the tools in PSBench to create their own benchmark dataset. Following are the prerequisites to generate the labels for a new benchmark dataset:
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### Data:
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- Predicted protein complex structures (structural models)
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</details>
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## IV. Baseline EMA methods for comparison with a new EMA method
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## V. Baseline EMA methods for comparison with a new EMA method
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Here are several publicly available baseline EMA methods which users can comapre their methods with:
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