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wklix / TransLNP

MIT License
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Questions about released weights #3

Open snpushpi opened 1 month ago

snpushpi commented 1 month ago

Thanks for the great work. i am curious what's the difference between the two model weights that've been released?

https://github.com/wklix/LNPs/releases/download/v1.0/mol_pre_all_h_220816.pt https://github.com/wklix/LNPs/releases/download/v1.0/mol_pre_no_h_220816.pt

I think https://github.com/wklix/LNPs/releases/download/v1.0/mol_pre_no_h_220816.pt gets loaded by default, why is this the case?

wklix commented 1 month ago

The difference between mol_pre_all_h_220816.pt and mol_pre_no_h_220816.pt lies in whether hydrogen atoms were ignored during the pre-training phase. mol_pre_no_h_220816.pt gets loaded by default because remove_hs=True in train_model.py.

At 2024-07-19 06:31:59, "Subha Nawer Pushpita" @.***> wrote:

Thanks for the great work. i am curious what's the difference between the two model weights that've been released?

https://github.com/wklix/LNPs/releases/download/v1.0/mol_pre_all_h_220816.pt https://github.com/wklix/LNPs/releases/download/v1.0/mol_pre_no_h_220816.pt

I think https://github.com/wklix/LNPs/releases/download/v1.0/mol_pre_no_h_220816.pt gets loaded by default, why is this the case?

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