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PNNL-CompBio / coderdata

Automation scripts and benchmark dataset package for cancer drug prediction deep learning models.
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SMILES Update #249

Open jjacobson95 opened 6 days ago

jjacobson95 commented 6 days ago

Drop IsoSMILES from the drug data. Map drugs by CanSMILES instead - this will include updates to GetBeatAML.py.