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Dear OpenFE team.
Thanks for this awesome work.
This is related to https://github.com/OpenFreeEnergy/openfe/issues/633 https://github.com/OpenFreeEnergy/openfe/issues/634 and https://github.com/Open…
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Hi Patrick,
Thanks for creating and sharing EvoBind, I had it running on few different proteins and the results are pretty interesting.
I was wondering if there is a way to manually select the s…
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### PXD001819 Analysis
Currently, we have a workflow that can perform peptide identification using: `-> ms2rescore -> SNR + spectrum properties -> percolator`
Here the results can be found (http…
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Hello I noticed that when you search for a peptide there are issues with the filter options. I tried to search for a particular mass and it comes up with 306 matches for example. This number does no…
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Would it make sense to utilise PoET for binding affinity prediction (ic50 score) of short peptide sequences (8-16 amino acids)? If yes, do you have any suggestions/comments on how to do it? Is it poss…
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Hello, I would like to ask if this file can be used for peptide self-assembly.What do I have to do if I want to use the GPU version.
Thank you for your answer
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I tested on the test dataset of nextneopi (https://github.com/icbi-lab/nextNEOpi). I has a similar session for using the arriba to get the fusion genes. From those fusion genes, it can get the peptide…
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Enable caching option for fetching tables from the DB. Things like proteins, peptides, scores could be queried just once.
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May I ask which file on the corresponding image of SWATH Library, HeLa HF, and DIA HF is used to evaluate the performance of unmodified peptides?
![Snipaste_2024-07-29_17-33-04](https://github.com/us…
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Hi,
I have a question.
Is it no longer possible to evaluate the affinity of any peptides and CDR3 as before in version2? We would appreciate it if you could let us know.