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DataLoader class for PL binding affinity #5

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leojklarner opened this issue Jan 14, 2021 · 0 comments

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leojklarner commented Jan 14, 2021 •

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load benchmark sets (such as pdbbind)
add download and splitting of arbitrary pdb complexes
cluster by ligand and protein similarity
add PLEC fingerprints, BINANA+Vina features, RFScore features
add explicit hydrogens during bond order augmentation

leojklarner self-assigned this

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