ms2pip
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CompOmics
MS²PIP: Fast and accurate peptide spectrum prediction for multiple fragmentation methods, instruments, and labeling techniques.
Improve handling very large amounts of peptides: make merging step more efficient, implement batches
Hi, I tried to run MS2PIP v.3.6.1 from the command line in Ubuntu 18.04. I supplied the config text file and the .peprec file like this when I ran the...
In Python, we use the modification name as a unique identifier of a modification. When we have multiple modification with the same name, we just overwrite the previous modification. However,...
 Dear developpers, I git clone the latest compomics, and git checkout v4.0.0. Then, I tried to install it in ms2pip folder via: pip install . It gives...
I'm getting `IndexError: Out of bounds on buffer access (axis 0)` from ms2pip/core.py when called from MS2PIPFeatureGenerator in MS2Rescore. I'm not sure if the root cause is in MS2PIPFeatureGenerator or...
Hi Ralf, I'm currently using MS2PIP to predict a spectral library for DIA-NN analysis. I obtained a '.msp' file and loaded it into the 'spectral library' of the DIA-NN GUI....
### Added - CI: Add integration test for `predict-single` ### Changed - Build with backwards-compatible Numpy v2, allow newer versions of Numpy, Pandas, and XGBoost at runtime
Drop file type check and instead catch exception thrown by ms2rescore-rs if the file type is unsupported. When used with https://github.com/compomics/ms2rescore-rs/pull/1, this adds support for gzipped spectrum files. As an...