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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
286 stars 68 forks source link

custom gpu option #49

Open Dion11235 opened 9 months ago

Dion11235 commented 9 months ago

This change resolves the issue of loading the pre-trained model into any other gpu for systems with multiple multiple gpu. setting visible device is a bypass but I needed to use two gpus in parallel for modelling and reaction mapping in a common environment, so this feature seemed useful. Thanks. Please let me know about your thoughts and apologies if anything is done inappropriately as this is my first PR. signed-off by : Dipan Banik dipanbanik104@gmail.com

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cla-bot[bot] commented 9 months ago

Thank you for your pull request and welcome to our community. We could not parse the GitHub identity of the following contributors: dipan.banik. This is most likely caused by a git client misconfiguration; please make sure to:

  1. check if your git client is configured with an email to sign commits git config --list | grep email
  2. If not, set it up using git config --global user.email email@example.com
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