There are 0 repository under rxn topic.
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).
Chemistry-related Python utilities used in the RXN universe
Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.
General Python utilities commonly used in the RXN universe
Open-source RXN models page
Training of OpenNMT-based RXN models