Request: All source code to reproduce will be contained in this repository?

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).

http://rxnmapper.ai

MIT License

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Request: All source code to reproduce will be contained in this repository? #15

Closed tsnguyen05 closed 3 years ago

tsnguyen05 commented 3 years ago

Greetings,

Some of the reactions cannot be matched correctly, and they need some special modifications (I have tried on Indigo and it did not work either). In order to understand how the process works, may I ask whether all codes are published and stored in this repository so that I can request to look at them in detail, if possible?

If so, may I also ask whether they would be in the "rxnmapper" folder only and neither in "docs" nor "docs_source" by chance?

Thank you, Tommy

pschwllr commented 3 years ago

Yes, the rxnmapper folder contains the code to reproduce the results of the paper.