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MAP_DNN for Cell-based Selection of DNA-encoded libraries

An example Pytorch implementation of the manuscript entitled "A Machine-learning-based Data Analysis Method for Cell-based Selection of DNA-encoded libraries (DELs)"

Dependencies

  • Python (3.9)
  • Numpy (1.22.1)
  • pandas (1.4.2)
  • PyTorch (1.13.0)
  • RDKit (2020.03.2)
  • scikit-learn (1.1.1)

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