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  1. ASYNT-GAN ASYNT-GAN Public

    Computer-assisted de novo design of natural product mimetics offers a viable strategy to reduce synthetic efforts and obtain natural-product-inspired bioactive small molecules but suffers from seve…

    Python 4 1

  2. velocitydock velocitydock Public

    JavaScript 1

  3. velocity velocity Public

  4. ai4chem ai4chem Public

    Deep Learning for Chem

    Python

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  • velocitydock Public
    JavaScript 1 0 0 18 Updated Jan 9, 2023
  • ASYNT-GAN Public

    Computer-assisted de novo design of natural product mimetics offers a viable strategy to reduce synthetic efforts and obtain natural-product-inspired bioactive small molecules but suffers from several limitations. Deep Learning techniques can help address these shortcomings. We propose the generation of synthetic molecule structures that optimiz…

    Python 4 CC0-1.0 1 0 0 Updated Oct 19, 2020
  • ai4chem Public

    Deep Learning for Chem

    Python 0 LGPL-3.0 0 0 0 Updated May 17, 2020
  • velocity Public
    0 0 0 0 Updated Sep 1, 2019

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