Results for “particle-physics”

6 skills

Evaluates machine learning classifiers on their ability to distinguish signal from background in particle physics simulations, measuring how well algorithms rank signal events above background ones using the AUC metric.

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Molecular Dynamics

Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces).

30.2k · bundle

Analyze proteomics and metabolomics mass spectrometry data with PyOpenMS: read/write MS file formats, process spectra, detect and quantify features, identify peptides and proteins, and run end-to-end LC-MS/MS pipelines using ready-to-run scripts.

30.2k · bundle

Process and analyze mass spectrometry data: import spectra from MGF, mzML, MSP, and JSON formats; apply 40+ filters for metadata harmonization and peak cleaning; compute spectral similarities (cosine, modified cosine) for compound identification; build reproducible processing pipelines.

30.2k · bundle

Process and analyze mass spectrometry data with the Matchms Python library, including importing spectra, filtering peaks, calculating similarity scores, and building reproducible analytical workflows.

schattenspiegel

Creates executable Polars dataframe contracts using Pandera's Polars backend for runtime validation of schemas, columns, and checks.