ersilia-os / eos7pw8

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Cleaning and Dockerizing model #5

Closed samuelmaina closed 1 year ago

samuelmaina commented 1 year ago

-Removed .dvc files. -Added the yml files. -Deleted predict.py and introduced main.py and run.sh -Modified service.py to much run.sh -Modified dependencies in Docker file to make the model run. Rdkit 2020.03 was preblematic. -Run the model successfully. Out of the model is eos7pw8_output.log