Illustration drawn by RepoMasters from the repo’s ID and its language color. Credits
AlphaUncommon

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).

Owner
rxn4chemistry (organization)
Stars
Stars: 388
Forks
Forks: 74
Language
Python
License
MIT
Created
2020
Topics
chemistryreactionsrxnatom-mappingsmilestransformer
Tier
Alpha (250 to 699 ★) What this tier means
View on GitHub

More repos by rxn4chemistry

All 4 repos by rxn4chemistry

Nearby in Python

All Python repos