Reker Lab @ Duke Biomedical Engineering

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1. DeepDelta 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.

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2. ActiveDelta ActiveDelta Public

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

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3. NanoAnalysis NanoAnalysis Public

   NanoAnalysis is a large scale, ML-driven analysis of inorganic nanoparticles in pre-clinical cancer research

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4. DeltaClassifier 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.

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5. Transportome Transportome Public

   Forked from DanReker/Transportome

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6. ComputationalDrugRD ComputationalDrugRD Public

   Python 3