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1. RekerLab/DeepDelta RekerLab/DeepDelta Public

   DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict property differences between two molecules.

   Python 45 7

2. RekerLab/ActiveDelta RekerLab/ActiveDelta Public

   ActiveDelta applies our pairwise deep learning approach to predict property differences to molecular active learning tasks.

   Python 8

3. RekerLab/DeltaClassifier RekerLab/DeltaClassifier Public

   DeltaClassifier is a machine learning method to directly train upon and learn molecular changes to classify molecular improvements in potency using inexact regression data.

   Python 4