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diffdock

Runtime error

Error

by midgleyac - opened Nov 18, 2022

Nov 18, 2022

Hello, thanks for running DiffDock as an in-browser tool, extremely convenient!
I'm getting back errors with certain SDF/Mol2 inputs. Is there a size restriction/cap on the ligand?

simonduerr

Owner Nov 18, 2022

•

edited Nov 18, 2022

I'm seeing some errors related to RDKit processing of the molecules " can't kekulize mol. ", but I don't track individual jobs so I can't say for sure if those are yours.

bk95

Feb 8, 2023

This model is also available on superbio.ai and runs without errors: https://app.superbio.ai/apps/234?id=63a335cfaf3a0a1151c0fb77

simonduerr changed discussion status to closed Mar 26, 2023

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