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fix typing Code-Analysis #137: Commit 5120f4a pushed by c-w-feldmann
June 20, 2024 16:57 11m 21s 31-add-kwargs-to-chempropneuralfp__init__
31-add-kwargs-to-chempropneuralfp__init__
June 20, 2024 16:57 11m 21s
improve docstring Code-Analysis #136: Commit a46ed61 pushed by c-w-feldmann
June 20, 2024 16:41 5m 51s 31-add-kwargs-to-chempropneuralfp__init__
31-add-kwargs-to-chempropneuralfp__init__
June 20, 2024 16:41 5m 51s
import Loss from molpipeline Code-Analysis #135: Commit 33dcc70 pushed by c-w-feldmann
June 20, 2024 16:37 3m 15s 31-add-kwargs-to-chempropneuralfp__init__
31-add-kwargs-to-chempropneuralfp__init__
June 20, 2024 16:37 3m 15s
black Code-Analysis #134: Commit 1b270b2 pushed by c-w-feldmann
June 20, 2024 11:33 3m 22s 31-add-kwargs-to-chempropneuralfp__init__
31-add-kwargs-to-chempropneuralfp__init__
June 20, 2024 11:33 3m 22s
fix indentation Code-Analysis #133: Commit bfb2154 pushed by c-w-feldmann
June 20, 2024 11:28 3m 5s 31-add-kwargs-to-chempropneuralfp__init__
31-add-kwargs-to-chempropneuralfp__init__
June 20, 2024 11:28 3m 5s
27 extend to more fingerprints (#29) Code-Analysis #132: Commit 60370d5 pushed by c-w-feldmann
June 20, 2024 10:30 6m 6s 31-add-kwargs-to-chempropneuralfp__init__
31-add-kwargs-to-chempropneuralfp__init__
June 20, 2024 10:30 6m 6s
explainability: adapting to Christians comments Code-Analysis #131: Commit 1fe0d02 pushed by JochenSiegWork
June 19, 2024 07:41 2m 59s xai
xai
June 19, 2024 07:41 2m 59s
allow to run manually Code-Analysis #130: Commit ef3abca pushed by c-w-feldmann
June 18, 2024 15:31 9m 11s 25-allow-to-trigger-pipelines-manually
25-allow-to-trigger-pipelines-manually
June 18, 2024 15:31 9m 11s
27 extend to more fingerprints (#29) Code-Analysis #129: Commit 60370d5 pushed by c-w-feldmann
June 18, 2024 15:07 6m 25s main
main
June 18, 2024 15:07 6m 25s
check equal non-zero positions Code-Analysis #128: Commit 5ac0809 pushed by c-w-feldmann
June 18, 2024 14:39 5m 59s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 14:39 5m 59s
check if at least on bit is greater than the non_counted fp Code-Analysis #127: Commit 627af9a pushed by c-w-feldmann
June 18, 2024 14:31 8m 42s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 14:31 8m 42s
Use rdkit structures to compile data for sparse fp Code-Analysis #126: Commit 1dd0f46 pushed by c-w-feldmann
June 18, 2024 13:56 7m 19s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 13:56 7m 19s
black Code-Analysis #125: Commit e063dea pushed by c-w-feldmann
June 18, 2024 10:47 6m 19s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 10:47 6m 19s
Fix copy paste error Code-Analysis #124: Commit 62be9e8 pushed by c-w-feldmann
June 18, 2024 10:23 7m 1s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 10:23 7m 1s
implement tests for maccs key fp Code-Analysis #123: Commit 413bb6a pushed by c-w-feldmann
June 18, 2024 10:22 8m 13s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 10:22 8m 13s
implement tests Code-Analysis #122: Commit e8bcdba pushed by c-w-feldmann
June 18, 2024 09:47 6m 1s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 09:47 6m 1s
extend docstrings Code-Analysis #121: Commit dfe28d2 pushed by c-w-feldmann
June 18, 2024 08:40 8m 4s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 08:40 8m 4s
implement Mol2PathFP Code-Analysis #120: Commit 59a2f15 pushed by c-w-feldmann
June 18, 2024 08:37 4m 7s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 18, 2024 08:37 4m 7s
set numpy < 2.0.0 in mypy Code-Analysis #119: Commit 7d114cf pushed by c-w-feldmann
June 17, 2024 14:08 6m 7s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 17, 2024 14:08 6m 7s
set numpy < 2.0.0 in requirements.txt Code-Analysis #118: Commit b32ef83 pushed by c-w-feldmann
June 17, 2024 14:05 2m 50s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 17, 2024 14:05 2m 50s
enable counted fingerprint Code-Analysis #117: Commit c6e0c1c pushed by c-w-feldmann
June 17, 2024 14:03 3m 17s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 17, 2024 14:03 3m 17s
install numpy<2.0.0 (until rdkit is updated) Code-Analysis #116: Commit 5a9b758 pushed by c-w-feldmann
June 17, 2024 13:59 2m 58s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 17, 2024 13:59 2m 58s
Update pyproject.toml bum version 0.8.3 Code-Analysis #115: Commit 9301877 pushed by c-w-feldmann
June 17, 2024 13:42 3m 9s 27-extend-to-more-fingerprints
27-extend-to-more-fingerprints
June 17, 2024 13:42 3m 9s
black Code-Analysis #114: Commit e67ed1e pushed by c-w-feldmann
June 17, 2024 11:53 4m 21s 26-numpy-200-is-not-compatible
26-numpy-200-is-not-compatible
June 17, 2024 11:53 4m 21s
np.float_ to np.float64 Code-Analysis #113: Commit de95c0f pushed by c-w-feldmann
June 17, 2024 11:50 2m 47s 26-numpy-200-is-not-compatible
26-numpy-200-is-not-compatible
June 17, 2024 11:50 2m 47s
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