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rxnmapper

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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).

Creat2020-05-14T03:01:05
Update2025-03-22T13:03:00
http://rxnmapper.ai
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