Results for “msal”
3 skills
k-dense-ai matchms
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
majiayu000 msa
Conduct Gage R&R studies and validate measurement systems per AIAG MSA manual, covering variable and attribute studies, acceptance criteria, and calculation methods.
567 · bundle
k-dense-ai 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