/ChemGAN-challenge

Code for the paper: Benhenda, M. 2017. ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.

Primary LanguagePython

ChemGAN challenge

python train_ogan.py exp.json

where exp.json is a experiment configuration file.

  • This code is otherwise based on ORGAN. Many thanks to the ORGAN team.