🦠 Model Request: REINVENT 4 LibInvent about ersilia HOT 8 CLOSED

Yes, we are not using cuda. For now, I guess I just need to pass the correct index-url for cu121. I noticed, I was passing the index-url for cu113

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@DhanshreeA Thanks for checking. The issue with the installation of reinvent is fixed.

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/approve

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New Model Repository Created! 🎉

@ankitskvmdam ersilia model respository has been successfully created and is available at:

🔗 ersilia-os/eos6ost

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Hey @ankitskvmdam what is the status of this one? Thanks!

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Hi @miquelduranfrigola ,

Finished working on this just now. main.py runs smoothly without any issues. The model is also functioning effectively. I validated its performance by generating 8000 molecules (1000 molecules per input smiles), which took approximately 12 minutes.

Facing some issue when I am using ersilia fetch command. I also noticed that I am not able to fetch old reinvent models (like eos694w). I suspect there is some change from REINVENT that is causing the build to fail. I will look into it soon.

REINVENT updates their dependencies last week (MolecularAI/REINVENT4@915ec4c#diff-d30f07d3b5c96037dfa1d196cb69cd4357dfea99c425a170c8ebab83368ffa3cL246):

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Thanks for the update! I see... Perhaps @DhanshreeA can assist with this. It is possible that building with Docker doesn't work with cuda.

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@ankitskvmdam just checking, any help that you need from me?

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