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    • nasqq

      Public
      NASQQ: end-to-end Nextflow pipeline designed for automated analysis of 1D 1H NMR proton magnetic resonance spectra.
      R
      MIT License
      1010Updated Nov 8, 2024Nov 8, 2024
    • Code for the ArdiMiPE publication
      Jupyter Notebook
      MIT License
      1410Updated Jan 6, 2023Jan 6, 2023
    • MAT

      Public
      The official implementation of the Molecule Attention Transformer.
      Python
      MIT License
      57242100Updated Apr 1, 2020Apr 1, 2020
    • Mol-CycleGAN - a generative model for molecular optimization
      Jupyter Notebook
      MIT License
      377520Updated Feb 6, 2019Feb 6, 2019