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Fail to run multi complexe with csv boolean index did not match indexed array along dimension 0 #240

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AmT42 opened this issue Jul 11, 2024 · 0 comments

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@AmT42
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AmT42 commented Jul 11, 2024

Hello everyone,

I have this error that I don’t understand:
diffdock-fastapi | WARNING:DiffDock-process-2994:Failed on ['1j4h_custom', '1j4h_custom']: boolean index did not match indexed array along dimension 0; dimension is 27 but corresponding boolean dimension is 13

I have my protein in storage/1j4h/1j4h.pdb and my CSV looks like:

and my csv looks like:
complex_name,protein_path,ligand_description,protein_sequence
0,1j4h_custom,storage/1j4h/1j4h.pdb,CC(=O)OC1=CC=CC=C1C(=O)O,
1,1j4h_custom,storage/1j4h/1j4h.pdb,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,

But I keep having this error.
When I use just one complex, it works, but when I have more than one, I get this error.

Can anyone help me, please?

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