Yuki Matsukiyo, Chikashige Yamanaka, and Yoshihiro Yamanishi,
De novo generation of inhibitors and activators for therapeutic target proteins by Transformer-based variational autoencoder and Bayesian optimization

Supplemental result

All the code of the proposed TRIOMPHE-BOA 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
  env
  results
  README.txt
  LICENCE.txt
  
• LICENCE