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rxn4chemistry / rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
http://rxnmapper.ai
MIT License
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Question on maintenance #51

Closed DavidWalz closed 1 month ago

DavidWalz commented 3 months ago

Dear @avaucher

Do you plan to maintain this python package going forward? There are a few changes, e.g. #50 and adaption to newer torch version that might be interesting to other users.

avaucher commented 3 months ago

Hi @DavidWalz, I don't expect any active work for new features or new models, but I'll do my best to find time for patches. Feel free to file issues or PRs. #50 is now supported.