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MolecularAI / Chemformer

Apache License 2.0
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Necessary GPUs for Molecular Property Prediction #23

Closed diegoff29 closed 12 months ago

diegoff29 commented 1 year ago

Hi All, Hope that you are okay. Just to provide a bit of background, I have been trying to run the finetuneRegr.py script in the conda command line in order to fine-tune the model and predict the conductivity of some compounds. I formatted my data file according to the steps detailed in #13 and specified the paths to my 1.data, 2. one of the models found in the link, and 3. the vocabulary text file with the added token.

After jumping through some hurdles (mostly changing some lines to account for the updated packages), I am now stuck after I get an error saying that the program needs [0] GPUs to run and I have: []. Could you please confirm that I'm following the right procedure for the task at hand? Are you aware of any way to get around this issue (such as changing the code or using a Cloud GPU Service?

Kind regards, Diego

shoang22 commented 1 year ago

After jumping through some hurdles (mostly changing some lines to account for the updated packages),

What does your trainer look like and how are you defining its parameters? Also, which updated packages are you using?

SGenheden commented 12 months ago

Closing due to inactivity