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SMILES support works great and should be enough! I imagine that incorporating SELFIES support wouldn't be as easy, or does BOSS have a nice interface for inputting custom alphabets? |
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There is no custom alphabet support, but we could add som I see I'm also missing a CI test addition :) |
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I've added the base Boss SSK model implementation.
This works fine for SMILES small molecule tasks.
There are some issues with the SELFIES tokenization however, given how the implementation handles string spaces via emukit.
Do we want SELFIES support also?