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rxn4chemistry
rxn-utils

General Python utilities commonly used in the RXN universe

16K 9 0
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).

5K 365 74
rxn4chemistry
rxn-onmt-models

Training of OpenNMT-based RXN models

586 2 3
rxn4chemistry
rxn-onmt-utils

Utilities related to the use of OpenNMT

368 0 1
rxn4chemistry
rxn-reaction-preprocessing

Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.

323 16 0
rxn4chemistry
rxn-metrics

Metrics for RXN models

111 1 0
    • Data from PyPI, GitHub, ClickHouse, and BigQuery