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Pinned

  1. EnchantmentsAnalysis EnchantmentsAnalysis Public

    Look at Enchantments lotto data

    Jupyter Notebook

  2. learning_fluxflux_kinetics learning_fluxflux_kinetics Public

    This is the accompanying code and data for the paper, "Machine learning the quantum flux-flux correlation function for catalytic surface reactions" (https://arxiv.org/abs/2206.01845). The goal of t…

    Jupyter Notebook 1 1

  3. RCCHyakTraining RCCHyakTraining Public

    Files for use during the RCC Hyak Trainings

    Shell

  4. pozzo-research-group/designspacediscovery pozzo-research-group/designspacediscovery Public

    Cheminformatics workflow to find new candidate compounds with desired properties

    Python