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ersilia-os / eos81ew

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Model Refactoring eos81ew #7

Closed ZakiaYahya closed 1 year ago

ZakiaYahya commented 1 year ago

Changes i've done in this model. (1) "upload-model-to-dockerhub.yml" is missing in github/workflows, i've added that file in the workflows.

GemmaTuron commented 1 year ago

@ZakiaYahya If this is the only thing that was missing in the model, I'll close this PR and automatically update all workflows. I am concerned about giving the output as a csv file, since other models from the same group (i.e eos31ve from @HellenNamulinda ) have had issues there - did you test the model with outputing to csv files?

ZakiaYahya commented 1 year ago

Yes @GemmaTuron I have successfully run the predictions on a csv file of 9 smiles, here's the output csv file, eos81ew_output.csv