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deepmodeling / Uni-Mol

Official Repository for the Uni-Mol Series Methods
MIT License
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Create unimol+ embeddings #208

Open maxime-duchateau opened 8 months ago

maxime-duchateau commented 8 months ago

I am trying to create unimol+ embeddings from a SMILES dataset. Is there a way to just infer this without having to train the model? how should I go about this? Thank you so much in advance!

emotionor commented 7 months ago

Sure! You can use UniMolRepr to get the embeddings.

You may kindly refer to the following Documents:Tutorial for usage instructions.