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Linting CI first code check #62: Commit aff52e4 pushed by niekdejonge
6m 1s add_benchmarking_method
add_benchmarking_method
6m 1s
ruff CI first code check #61: Commit a59e6a9 pushed by niekdejonge
11m 52s add_benchmarking_method
add_benchmarking_method
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Add tqdm to predict using closest tanimoto CI first code check #60: Commit 276511c pushed by niekdejonge
7m 4s add_benchmarking_method
add_benchmarking_method
7m 4s
update ms2deepscore version CI first code check #59: Commit 0ca72ef pushed by florian-huber
6m 38s main
main
6m 38s
add merge_fingerprint method CI first code check #58: Commit 4e208cf pushed by florian-huber
3m 49s main
main
3m 49s
adjust tests CI first code check #57: Commit cf6a805 pushed by florian-huber
3m 36s main
main
3m 36s
Added basic tests for predict using closest tanimoto score (checking … CI first code check #56: Commit 1c2f1a7 pushed by niekdejonge
7m 7s add_benchmarking_method
add_benchmarking_method
7m 7s
Add test_select_inchikeys_with_highest_ms2deepscore CI first code check #55: Commit f223e43 pushed by niekdejonge
7m 34s add_benchmarking_method
add_benchmarking_method
7m 34s
Add test_get_average_predictions_for_closely_related_metabolites CI first code check #54: Commit fd2bf89 pushed by niekdejonge
7m 18s add_benchmarking_method
add_benchmarking_method
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Add test_get_inchikey_and_tanimoto_scores_from_top_k CI first code check #53: Commit fb4cbd8 pushed by niekdejonge
6m 56s add_benchmarking_method
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6m 56s
refactoring/linting CI first code check #52: Commit e646e22 pushed by florian-huber
3m 13s main
main
3m 13s
Added extra inchikey smiles examples CI first code check #51: Commit 2c2e35f pushed by niekdejonge
6m 38s add_benchmarking_method
add_benchmarking_method
6m 38s
Add method for predicting using top 10 closest library spectra. CI first code check #50: Commit 7f76997 pushed by niekdejonge
7m 3s add_benchmarking_method
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Do correct subsetting of inchikey sets CI first code check #49: Commit b4561c0 pushed by niekdejonge
7m 6s add_benchmarking_method
add_benchmarking_method
7m 6s
cleaning and additional test CI first code check #48: Commit 62eef51 pushed by florian-huber
3m 47s main
main
3m 47s
add test and clean CI first code check #47: Commit c3d7b62 pushed by florian-huber
3m 41s main
main
3m 41s
add more getters CI first code check #46: Commit a59cc9a pushed by florian-huber
3m 36s main
main
3m 36s
linting CI first code check #45: Commit 0c3c920 pushed by florian-huber
3m 39s main
main
3m 39s
larger linting/cleaning and batch implementation CI first code check #44: Commit bf9bbf2 pushed by florian-huber
3m 41s main
main
3m 41s
add fingerprint index CI first code check #43: Commit 92b434c pushed by florian-huber
3m 49s main
main
3m 49s
Merge branch 'main' of https://github.com/matchms/ms2query_2 CI first code check #42: Commit 7865da8 pushed by florian-huber
4m 36s main
main
4m 36s
Use ms2deepscore 2.6.0 CI first code check #41: Commit 8024263 pushed by niekdejonge
6m 41s add_benchmarking_method
add_benchmarking_method
6m 41s
Add inits CI first code check #40: Commit 4d81ddf pushed by niekdejonge
5m 9s add_benchmarking_method
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Add EvaluateMethods a general method for benchmarking analogue search… CI first code check #39: Commit e882f00 pushed by niekdejonge
3m 56s add_benchmarking_method
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Add SpectrumDataSet for handling sets of spectra, for method developm… CI first code check #38: Commit fa4afdd pushed by niekdejonge
3m 37s add_benchmarking_method
add_benchmarking_method
3m 37s