BenevolentAI / DeeplyTough

DeeplyTough: Learning Structural Comparison of Protein Binding Sites
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JCIM code update #2

Closed mys007 closed 4 years ago

mys007 commented 4 years ago

Updated code to follow our revised JCIM paper, in particular away moving from UniProt-based splitting strategy as in our BioRxiv paper to sequence-based clustering approach whereby protein structures sharing more than 30% sequence identity are always allocated to the same testing/training set. We have also made data pre-processing more robust and fixed the version of several dependencies.