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SELFormer: Molecular Representation Learning via SELFIES Language Models

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Hi! Following the experimental method shown in the SELFormer paper (Figure 4), we would like to analyze the drug discovery capabilities of various models. However, the ChemBL dataset and their...

Hello, I tried to install SELFormer through conda, however, I get an error stating that "Your installed version is: not available". Do you have any suggestions for the installation? **(SELFormer_env)...

What do modelO, modelC and modelM refer to in the pre-trained models link?

Is it possible to convert embeddings back to selfies?

Very impressive work, thanks a lot for providing this tool. However, when I use this tool to do fine tunning on my classification dataset (0/1), I encounterd a strange problem:...

Hi, Thank you for providing such detailed instructions on how to use this model. It has been extremely useful to me. I am relatively new to this field of transformers....

The current requirements.yml file is keeping anaconda running forever with the following warnings: `conda env update --file data/requirements.yml Collecting package metadata (repodata.json): / WARNING conda.models.version:get_matcher(546): Using .* with relational operator...