Workflow from Scientific Research

Open access visualization of Workflow, Flowchart, SR-BIND, Dual-Set Architecture, MSR2
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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.

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