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  1. CrystalGraph CrystalGraph Public

    Finite graph representations for topological crystals

    Python 5 1

  2. ATMOxide ATMOxide Public

    Amine-templated metal/metalloid oxdes

    HTML 1 1

  3. CompAugCycleGAN CompAugCycleGAN Public

    Augmented CycleGAN used for generating chemical compositions

    Python

  4. LLM_organic_synthesis LLM_organic_synthesis Public

    Python 20 9

  5. simulator-aspire-poc simulator-aspire-poc Public

    Python 4 2

  6. whygreedy whygreedy Public

    Python 5