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Hey all, First of all congratulations on this amazing work. I don't know if I'm being too early here as this is the first topic on discussion, but I have had some problems to reproduce the tutorial for PPI. I have installed deeprank2 locally and everything seems to run fine. I'm running the JN for "data_generation_ppi.ipynb". "Graph/Query with ID residue-ppi:M-P:BA-105857 ran into an Exception (ValueError: chain ['M', 'P'] not found in the structure), and it has not been written to the hdf5 file. More details below: However, I'm using the input provided in the tutorial for peptide-MHC systems, in which the chains are indeed M and P. Has anyone faced this problem before? I'd really appreciate thoughts on this matter. Best, |
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Hi @mvfferraz, sorry for the delay, somehow I missed your post. This seems more like a topic for a new issue (which may be an installation error or a bug) than for the Discussions tab. Please fill out this form here, we will pick it up asap. |
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Hi @mvfferraz, sorry for the delay, somehow I missed your post.
This seems more like a topic for a new issue (which may be an installation error or a bug) than for the Discussions tab. Please fill out this form here, we will pick it up asap.