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@RekerLab

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.

    Python 47 8

  2. ActiveDelta ActiveDelta Public

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

    Python 8

  3. NanoAnalysis NanoAnalysis Public

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

    HTML 4 2

  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.

    Python 4

  5. Transportome Transportome Public

    Forked from DanReker/Transportome

    Python 3 2

  6. ComputationalDrugRD ComputationalDrugRD Public

    Python 3

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