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Add tutorial that did actually run CI build and Python-System-matrix tests #11: Pull request #8 opened by niekdejonge
6m 34s update_notebook
update_notebook
6m 34s
Add tutorial that did actually run CI first code check #111: Commit cf4f697 pushed by niekdejonge
6m 34s update_notebook
update_notebook
6m 34s
Fix bug CI first code check #110: Commit 3d9a1d8 pushed by niekdejonge
6m 14s add_run_ms2query
add_run_ms2query
6m 14s
Rename test_ReferenceLibrary CI first code check #109: Commit 21f0a60 pushed by niekdejonge
6m 51s add_run_ms2query
add_run_ms2query
6m 51s
Complete move of predict_top_k_ms2deepscores CI first code check #108: Commit 449cfc4 pushed by niekdejonge
6m 54s add_run_ms2query
add_run_ms2query
6m 54s
Move predict_top_k_ms2deepscore as well CI first code check #107: Commit bd5a783 pushed by niekdejonge
5m 29s add_run_ms2query
add_run_ms2query
5m 29s
Move MS2DeepScoresForTopInChikeys since not used for core functionality CI first code check #106: Commit 25508a6 pushed by niekdejonge
6m 20s add_run_ms2query
add_run_ms2query
6m 20s
Point to tutorial notebook in readme CI first code check #105: Commit d1ece96 pushed by niekdejonge
7m 29s add_run_ms2query
add_run_ms2query
7m 29s
Add a first run MS2Query tutorial CI first code check #104: Commit d55cff1 pushed by niekdejonge
7m 18s add_run_ms2query
add_run_ms2query
7m 18s
linting CI first code check #103: Commit 82ee3bb pushed by niekdejonge
6m 35s add_run_ms2query
add_run_ms2query
6m 35s
Sort import statements CI first code check #102: Commit 7286c8c pushed by niekdejonge
6m 34s add_run_ms2query
add_run_ms2query
6m 34s
Convert run_ms2query to class CI first code check #101: Commit 0cb5a53 pushed by niekdejonge
7m 40s add_run_ms2query
add_run_ms2query
7m 40s
add run_ms2query_from_files CI first code check #100: Commit 931d1cb pushed by niekdejonge
5m 43s add_run_ms2query
add_run_ms2query
5m 43s
Add run ms2query CI build and Python-System-matrix tests #10: Pull request #6 opened by niekdejonge
3m 55s add_run_ms2query
add_run_ms2query
3m 55s
Add save and load options for top_k_tanimoto_scores CI first code check #99: Commit fb0107d pushed by niekdejonge
7m 35s add_run_ms2query
add_run_ms2query
7m 35s
Add methods for easy development and benchmarking of method variants CI build and Python-System-matrix tests #9: Pull request #3 closed by niekdejonge
7m 40s add_benchmarking_method
add_benchmarking_method
7m 40s
Add readme describing reference methods folder CI first code check #98: Commit 431e802 pushed by niekdejonge
7m 37s refactor_spectrum_set
refactor_spectrum_set
7m 37s
ruff CI first code check #97: Commit 11729e2 pushed by niekdejonge
7m 37s refactor_spectrum_set
refactor_spectrum_set
7m 37s
Added save and load options for AnnotatedSpectrumSet CI first code check #96: Commit 73455a1 pushed by niekdejonge
6m 55s refactor_spectrum_set
refactor_spectrum_set
6m 55s
fix pylance issue CI first code check #95: Commit 8bb6cda pushed by niekdejonge
7m 27s refactor_spectrum_set
refactor_spectrum_set
7m 27s
Add progress bar for hashing of spectra in embeddings CI first code check #94: Commit 5354887 pushed by niekdejonge
5m 52s refactor_spectrum_set
refactor_spectrum_set
5m 52s
add progress bar when creating annotatedspectrumset and remove progre… CI first code check #93: Commit f7b1b8f pushed by niekdejonge
6m 20s refactor_spectrum_set
refactor_spectrum_set
6m 20s
ruff linting CI first code check #92: Commit d6418f4 pushed by niekdejonge
7m 36s refactor_spectrum_set
refactor_spectrum_set
7m 36s
Make predict_using_closest_tanimoto use TopKTanimotoScores CI first code check #91: Commit 2f0e63c pushed by niekdejonge
7m 19s refactor_spectrum_set
refactor_spectrum_set
7m 19s
Extended test_calculate from fingerprints CI first code check #90: Commit 3607bf5 pushed by niekdejonge
7m 6s refactor_spectrum_set
refactor_spectrum_set
7m 6s