Seonghwan Seo

Hello @yordan-ov, Thanks for letting me know. I am currently only running it on LINUX and MAC environments and have not checked its behavior on WINDOW environments, so I am...

Oh there is a mistake on README.md. I will modify that bug as soon as possible. Thank you for pointing out the error. The error seems to be cause by...

I haven't found any issues on CentOS7 and MacOS (Apple Silicon M1). Can you let me know what your working environment is?

As far as I know, there was importing issue for torch geometric. (I also encountered that issue in MacOS.) Could you confirm that torch geometric can be imported well in...

I'm glad to see the system is working. I will train the model for MW-logP and deliver the trained model until this week.

The mw-logp model is uploaded. You can download the model weight with following script. ```bash gdown 'https://drive.google.com/uc?id=10UXskmoQQW6KZAeNSVqF4LliMZB9j5Iq' ``` Also, required config file (`./test/generation_config/mw_logp.yaml`) is uploaded on this repository.

We use simple analytic function for high generalization, so screening performance may not be superior for all targets. The model training was done in unsupervised way on public PDBBind2020 dataset,...

The internet is required only once to download the trained deep learning model file. I'll update the code so that you can download and load the model manually in 3-4...

> The internet is required only once to download the trained deep learning model file. I'll update the code so that you can download and load the model manually in...

Sorry. Now I'm fine. I updated the code for pharmaconet, but I feel what you need is the offline setup for reward function. Right? (e.g., TacoGFN or RxnFlow) It would...