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ms2query/ms2query_development/Fingerprints.py

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from matchms.filtering.metadata_processing.add_fingerprint import _derive_fingerprint_from_inchi
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from numpy.typing import NDArray
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from tqdm import tqdm
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from ms2query.ms2query_development.AnnotatedSpectrumSet import AnnotatedSpectrumSet
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from ms2query.metrics import generalized_tanimoto_similarity_matrix
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from ms2query.ms2query_development.AnnotatedSpectrumSet import AnnotatedSpectrumSet
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class Fingerprints:

ms2query/ms2query_development/TopKTanimotoScores.py

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from pathlib import Path
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import numpy as np
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import pandas as pd
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from ms2query.ms2query_development.Fingerprints import Fingerprints
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from ms2query.metrics import generalized_tanimoto_similarity_matrix
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from ms2query.ms2query_development.Fingerprints import Fingerprints
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class TopKTanimotoScores:

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