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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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Installation error with python 3.12 #54

Closed m-hyin closed 1 month ago

m-hyin commented 1 month ago

Hello,

I see an error occurred when try to install rxnmapper in python 3.12 environment. pip install rxnmapper

It seems like rxnmapper requires pytorch >=1.5.0,<2.1, while pytorch only supports python 3.12 staring from v2.4 (https://pytorch.org/blog/pytorch2-4/).

Do you have the plan to upgrade recently? Thanks.

avaucher commented 1 month ago

Hi, I upgraded the package and relaxed this constraint. Can you try installing rxnmapper again (version 0.3.1)?

m-hyin commented 1 month ago

It works, thanks a lot!