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luwei0917 / DynamicBind

repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
MIT License
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Missing code #2

Closed amrhamedp closed 11 months ago

amrhamedp commented 1 year ago

Hi @luwei0917 the code will not run cause {script_folder}/esm/scripts/extract.py is not found (called by inference script)

One more thing: where is the training procedure described? the preprocessing of the data

Thanks

luwei0917 commented 1 year ago

Thanks for the interest. I will upload the rest of code/data in the next couple of days.