Workflow from Scientific Research

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SR-BIND follows the dual-set architecture of MSR2 by employing two parallel RepSet layers. Atoms a l of the ligand L i are added to a set if they are within radius r of any protein atom a m . Conversely, atoms a m from protein M i are added to a second set only if they are within radius r of any ligand atom a l . Both sets are passed to separate RepSet layers whose output is concatenated and passed to a regression or classification MLP.
#Workflow#Flowchart#SR-BIND#Dual-Set Architecture#MSR2#RepSet#Atoms#Ligand#Protein#Concatenation#Regression#Classification#MLP
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