lsh0520 / 3D-MoLM

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Demo and inference.ipynb #12

Closed lhkhiem28 closed 6 months ago

lhkhiem28 commented 6 months ago

Hi @acharkq ,

While the demo only needs the smiles string to work, why does the inference function in inference.ipynb needs both the smiles string and the .sdf file? Could you share the code of the demo? Or how can I use the inference.ipynb with other molecules (using only smiles strings)?

Thank you so much!