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Requirements:

  1. Rdkit
  2. Streamlit
  3. Pandas
  4. Numpy
  5. Keras
  6. matplotlib
  7. Pulp
  8. CPLEX solver

The files associated with the MinChemBio are seperately attached here, since the github limits uploading files larger than 100 MB without LFS. Dataset and code on Scholarsphere

How to use minChemBio tool

conda env create -f environment.yaml