search

MolecularAI / aizynthfinder

A tool for retrosynthetic planning
https://molecularai.github.io/aizynthfinder/
MIT License
562 stars 128 forks source link

Some Questions Regarding Expansion Strategies #151

Closed lz2021211161 closed 4 months ago

lz2021211161 commented 4 months ago

Hi,

Firstly, in previous inquiries, I discovered a reference to the address https://molecularai.github.io/aizynthfinder/training.html for creating a new extension strategy. However, it seems this address is no longer active. Could you please clarify if this content has been intentionally removed? If so, where can I find it now?

Secondly, I've come across mentions of the latest USPTO model, uspto_keras_model. Could you direct me to where I can access this model?

I apologize for my lack of understanding regarding these matters and would greatly appreciate your assistance in providing clarification.

Thank you!

SGenheden commented 4 months ago

The training was moved to a separate repo called AiZynthTrain: https://github.com/MolecularAI/aizynthtrain

You can download the latest model with the download_public_data tool as explained on the landing page, or downloaded from Zenodo: https://zenodo.org/records/7341155

lz2021211161 commented 4 months ago

Hi， Thank you very much for responding to me so quickly. I found that the filenames downloaded via the 'download_public_data' command are different from those on the website https://zenodo.org/records/7341155. Does this mean that there are different versions of the models? All the best!

SGenheden commented 4 months ago

The name does not matter. The 'download_public_data' downloads the latest version.

lz2021211161 commented 4 months ago

Thank you for your prompt reply, I have no further questions.