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amine179 / Curiosity-RL-for-Drug-Design

Curiosity as a Self-Supervised Method to Improve Exploration in De novo Drug Design

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Curiosity-RL-for-Drug-Design

Curiosity as a Self-Supervised Method to Improve Exploration in De novo Drug Design

Paper under review

Requirements

  • MatPlotLib
  • Numpy
  • Pandas
  • PyTorch
  • RDKit

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Curiosity as a Self-Supervised Method to Improve Exploration in De novo Drug Design

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Language:Jupyter Notebook 97.4%Language:Python 2.6%