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Synthetic Drug Discovery AI using DeepL convolutions to perform fundamental feature extraction of a binding site to characterize the ideal ligand

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EstherKim97/MaxBind-AI

 
 

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MaxBind-AI

Files

Files to experiment with

02.zip & 102m__1__1.A__1.C

  • example data from PLINDER
  • sperm whale myoglobin A + cofactor (ligand)

final_merged_output

  • queried ligand data from ChEMBL at various degrees of preprocessing

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Synthetic Drug Discovery AI using DeepL convolutions to perform fundamental feature extraction of a binding site to characterize the ideal ligand

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  • Jupyter Notebook 99.1%
  • Python 0.9%