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  1. LocalRetro LocalRetro Public

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  • LocalTransform Public

    Predicting Organic Reactivity with LocalTransform

    Jupyter Notebook 45 6 0 0 Updated Mar 28, 2025
  • Python 4 0 0 0 Updated Jun 12, 2024
  • LocalRetro Public

    Retrosynthesis prediction for organic molecules with LocalRetro

    Python 94 27 0 0 Updated May 30, 2024
  • ElemwiseRetro Public

    Predicting Synthesis Recipes of Inorganic Crystal Materials using Elementwise Template Formulation

    Python 8 1 1 0 Updated Apr 19, 2024
  • Cryslator Public
    Python 12 8 0 0 Updated Jun 26, 2023
  • Python 6 2 0 0 Updated Jan 10, 2023
  • CGCNN-HD Public
    Python 12 1 0 0 Updated Aug 5, 2022
  • Composition-Conditioned-Crystal-GAN Public

    Composition-Conditioned Crystal GAN pytorch code

    Python 43 18 3 0 Updated Feb 28, 2022
  • imatgen Public

    image-based generative model for inverse design of solid state materials

    Python 39 13 2 0 Updated Feb 18, 2022
  • Python 26 4 2 0 Updated Feb 17, 2022