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Pinned

  1. CliqueDetection CliqueDetection Public

    Performs a maximum clique detection calculation on a Metal-organic framework

    C++

  2. Danish-QSAR-Batch-Bot Danish-QSAR-Batch-Bot Public

    A Bot that runs chemicals through the Danish QSAR Models in batch mode

    Python

  3. FoCAS FoCAS Public

    FoCAS AI Program

    C++

  4. MOF-Fingerprinting-Code MOF-Fingerprinting-Code Public

    Generates graph-based fingerprints for MOF to be used in machine learning

    Python 1

  5. NeuralNets_PyTorch NeuralNets_PyTorch Public

    Codes used for PyTorch NN fittings

    Python

  6. QuotientGraph QuotientGraph Public

    Generates a quotient graph for a MOF to be used as a descriptor

    Python 1