Results for “similarity”
7 skillsRdkit
Perform cheminformatics tasks including molecular I/O, descriptor calculation, fingerprinting, substructure search, and similarity analysis using the RDKit library.
30.2k · bundle
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
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
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Arrowspace
Augments nearest-neighbour search with graph Laplacian features to retrieve items based on both semantic similarity and structural role.
42.4k
Aeon
Provides scikit-learn compatible algorithms for time series machine learning, including classification, regression, clustering, forecasting, anomaly detection, segmentation, and similarity search.
567 · bundle
Aeon
Performs time series machine learning tasks including classification, regression, clustering, forecasting, anomaly detection, segmentation, and similarity search using the aeon toolkit.
3 · bundle
Aeon
Runs time series machine learning tasks—classification, regression, clustering, forecasting, anomaly detection, segmentation, and similarity search—using the scikit-learn compatible aeon toolkit.
253 · bundle