/tools/uq4dd

uq4dd

MolecularAI/uq4dd

17 stars2 forksPythonAdded February 4, 2026
summary

UQ4DD is a Python package designed for uncertainty quantification in drug discovery, specifically for predicting molecular properties and drug-target interactions. It utilizes deep learning techniques to provide estimates of uncertainty alongside property predictions, making it a valuable tool for researchers in the field.

description

UQ4DD: Uncertainty Quantification for Drug Discovery

topics

deep-learningdrug-discoverymolecular-property-predictionprobability-calibrationuncertainty-quantification

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