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Amanda-D
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torchdrug
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torchdrug.metrics
Basic Metrics
AUROC
AUPRC
R2
Accuracy
Matthews Correlation Coefficient
Pearson Correlation Coefficient
Spearman's Rank Correlation Coefficient
Variadic Accuracy
Variadic Area Under ROC
Variadic Area Under PRC
Variadic Top Precision
F1 Max
Chemical Metrics
SA
QED
Chemical Validity
LogP
Penalized LogP