Akshay Subramanian

Sure. No hurry!

That's a good idea! Maybe we could give the user the freedom to decide the interval after which the molecule is displayed (as an argparse parameter)? We could then modify...

Yeah, I've based this on the Google repository. I've started out with only the single property optimization functionality (QED only as of now). The original implementation supports single property optimization...

Hi @bengeof ! Thanks for your question. Your work on automated drug discovery looks very interesting! The current version doesn't automatically display the molecule after each optimization step. But this...

Hi @muammar thanks for your question! Preprocessing was done using the `preprocess.py` script from [https://github.com/maxhodak/keras-molecules](https://github.com/maxhodak/keras-molecules). Let me know if you have any other questions!

I actually remember getting the same error when I had used the code. I can't recall exactly how I fixed it but I vaguely remember that in lines 35 and...