/Curiosity-RL-for-Drug-Design

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

Primary LanguageJupyter Notebook

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