/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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