d-b-w / rxnmapper Goto Github PK
View Code? Open in Web Editor NEWThis project forked from 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).
Home Page: http://rxnmapper.ai
License: MIT License