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Results for “peptide-identification”

8 skills
k-dense-ai
pyopenms
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
More results
k-dense-ai
pytdc
Access AI-ready drug discovery datasets and benchmarks from Therapeutics Data Commons, covering ADME, toxicity, drug-target interactions, and molecular generation with standardized splits and evaluation metrics.
30.2k · bundle
lingxling
matchms
Process and analyze mass spectrometry data with the Matchms Python library, including importing spectra, filtering peaks, calculating similarity scores, and building reproducible analytical workflows.
253 · bundle
k-dense-ai
medchem
Apply medicinal chemistry filters for compound triage: drug-likeness rules (Lipinski, Veber, CNS), structural alert catalogs (PAINS, NIBR, ChEMBL), complexity metrics, and a custom query language for library filtering.
30.2k · bundle
lingxling
pytdc
Access AI-ready drug discovery datasets, benchmarks, and molecular oracles from Therapeutics Data Commons for therapeutic machine learning and pharmacological prediction.
253 · bundle
lingxling
medchem
Filters and prioritizes compound libraries in drug discovery using drug-likeness rules, structural alerts, complexity metrics, and a query language.
253 · bundle
k-dense-ai
deepchem
Predict molecular properties, train graph neural networks, and run drug discovery workflows using DeepChem's featurizers, models, and MoleculeNet benchmarks.
30.2k · bundle
tools-only
187-step-459c2d7b
Guides analysis of Neuropixels recordings from raw data to curated units, covering preprocessing, motion correction, spike sorting, quality metrics, and export.
7 · bundle