Kazuma Kaitoh and Yoshihiro Yamanishi,
Scaffold-retained Structure Generator to Exhaustively Create Molecules in an Arbitrary Chemical Space

Supplemental result of 100,0000 molecules generated by the proposed EMPIRE method

• the list of generated chemical structures (a CSV file)
  The CSV file of chemical structures with SMILES representations:
  

All the code of the proposed EMPIRE method in the manuscript

• the whole list of programs and data (a ZIP file)
  The zip file consists of the following directories and files:
  code
  data
  README.txt
  EMPIRE_env.yml
  LICENCE.txt
  
• LICENCE