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    • JavaScript
      01018Updated Jan 9, 2023Jan 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
      Creative Commons Zero v1.0 Universal
      1400Updated Oct 19, 2020Oct 19, 2020
    • ai4chem

      Public
      Deep Learning for Chem
      Python
      GNU Lesser General Public License v3.0
      1000Updated May 17, 2020May 17, 2020
    • velocity

      Public
      0000Updated Sep 1, 2019Sep 1, 2019