Chence Shi

Hi, basically you didn't miss anything and you are right. We remove the adversarial loss in our implementation to simplify the model, and you are encouraged to customize your own...

Yes, you can. The only difference between Constrained property optimization and property optimization is that we start from an existing subgraph in the former case. To implement it, you basically...

Thanks @rmurphy2718 for the nice blog! I just successfully installed torchdrug (cpu version) on my Macos using `venv` without `Anaconda`. Here is a possible solution. ## Create venv ``` mkdir...

# Update **Generally, it is not recommended to install RDKit via pip** (`pip install rdkit-pypi`). Everything works smoothly with conda. ## Problem Statement I found that if you do so,...

Hi, Could you please share the codes you use to generate predictions for simple SMILES?

Hi, Can you please check the following tutorial written in Colab? You may need to run the tutorial on your own machine. Please make sure the batch you provided is...

Hey, Please check out this [tutorial](https://colab.research.google.com/drive/1JEMiMvSBuqCuzzREYpviNZZRVOYsgivA?usp=sharing#forceEdit=true&sandboxMode=true). We pretrained GraphAF and G2Gs for 5 epochs. Please check this [google drive folder](https://drive.google.com/drive/folders/177KKmjcSiYfvEVZkBw5RZFk9Mq2t8GBF?usp=sharing)

For the import 'container_abcs' error, please refer to #4.

Yeah, we have the uncleaned code for the Property Prediction part. We will release that soon.

Thank you for sharing your solutions. The ConfGF was implemented with the old-version Pyg. We plan to integrate the ConfGF into our TorchDrug platform in the near future.