Samuel Genheden

Hello First it seems that you are trying to run two commands in one line. `aizynthcli` and `aizynthapp` are two different tools. Second `config.yml` is a configuration that specifies the...

It looks like you are downloading the `config.yml` to the folder `/Users/miao/vscode/aizynthfinder-master`, but I am unsure if it is from this folder you are trying to run `aizynthcli`. Perhaps if...

Closing this due to inactivity.

Hello Mike. We had issues with ipywidgets before, so we pinned it to a lower version. That have worked, so it is interesting that it doesn't work for you. I...

The GUI with the ipywidgets have clearly been outdated. We have decided to deprecate this interface to the package for a number of reasons: * It is not used particularly...

Hello Will, Thanks for this. The formula implemented is of course from Thakkar et al. Chem Sci (2020) and I don't think that anyone has looked at this equation in...

The `--fpred` argument worked fine. Thanks, Sam

Hello Philip, Thanks for your message, and for brining up this very interesting topic. In my opinion, protection strategies is not optimized at all with current retrosynthesis algorithms. We have...

Hello. Thanks for your respons. My initial thought is that you ran out of memory when trying to load the rather large ZINC stock. Looking at your input file, it...

Thanks for your feedback. This is on our to-do list. It would naturally be better to parse the CXSMILES correct, which would entail employing level-1 parenthesis around SMILES that should...