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bhoov avatar bhoov commented on July 18, 2024 1

Unfortunately this code base only supports languages right now and it will certainly not be plug-n-chug for chemical reactions. This application area has been brought to our attention though and we are hoping to make the interface generalizable.

If you would like to plow ahead and implement this yourself, there are several moving parts that will need to be modified:

  1. Look at the most recent code in the hoo/transformers branch as this contains the most recent code.
  2. The aligner module will need to support the custom tokenizer for chemical reactions
  3. References to spacy, which is the library used to annotate language data (e.g., with part of speech/entity information), will need to be replaced with your own annotator for chemical strings, or you can choose to strip this feature out of the system entirely.
  4. The HDF5 data structure currently has attributes for the annotations mentioned above. This data structure will need to be modified for your use case.

These are all backend changes. You should only need to change the frontend if:

  • You change any of the REST API response types, these will need to be reflected in the typescript data structures, and the code that accesses these data structures will need to be updated accordingly.
  • You want to visualize the strings as a molecule

Hope this helps!

from exbert.

violetguos avatar violetguos commented on July 18, 2024

Thank you for the quick reply! I'll fork this and see what I can do!

from exbert.

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