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Fix test. Inverse transform does not yield original values, as it is … Code-Analysis #350: Commit c81b048 pushed by c-w-feldmann
September 18, 2024 10:11 2m 57s 81-postpredictionwrapper-handle-set_params-without-wrapped_estimator
81-postpredictionwrapper-handle-set_params-without-wrapped_estimator
September 18, 2024 10:11 2m 57s
remove unused var Code-Analysis #349: Commit d36e2f2 pushed by c-w-feldmann
September 18, 2024 09:45 3m 18s 81-postpredictionwrapper-handle-set_params-without-wrapped_estimator
81-postpredictionwrapper-handle-set_params-without-wrapped_estimator
September 18, 2024 09:45 3m 18s
Add tests Code-Analysis #348: Commit 31ac61e pushed by c-w-feldmann
September 18, 2024 09:35 2m 37s 81-postpredictionwrapper-handle-set_params-without-wrapped_estimator
81-postpredictionwrapper-handle-set_params-without-wrapped_estimator
September 18, 2024 09:35 2m 37s
docu: update readme, add image, add feature calc notebook (#90) Code-Analysis #347: Commit 0b7852c pushed by JochenSiegWork
September 18, 2024 08:28 8m 2s main
main
September 18, 2024 08:28 8m 2s
notebooks: add header to feature calculation Code-Analysis #346: Commit e39111d pushed by JochenSiegWork
September 18, 2024 08:15 5m 57s more_docu
more_docu
September 18, 2024 08:15 5m 57s
readme: add published Molpipeline paper link Code-Analysis #345: Commit 4f1f8b5 pushed by JochenSiegWork
September 18, 2024 07:00 5m 27s more_docu
more_docu
September 18, 2024 07:00 5m 27s
readme: add feature calculation example Code-Analysis #344: Commit f072b0a pushed by JochenSiegWork
September 17, 2024 15:34 5m 31s more_docu
more_docu
September 17, 2024 15:34 5m 31s
docu: update readme, add image, add feature calc notebook Code-Analysis #343: Commit 2b32f31 pushed by JochenSiegWork
September 17, 2024 15:24 5m 35s more_docu
more_docu
September 17, 2024 15:24 5m 35s
Code-Analysis Code-Analysis #342: Scheduled
September 16, 2024 05:13 5m 27s main
main
September 16, 2024 05:13 5m 27s
finalize filter refactoring Code-Analysis #341: Commit a93344c pushed by frederik-sandfort1
September 12, 2024 15:26 12m 41s filter_update
filter_update
September 12, 2024 15:26 12m 41s
typing, tests, complex filter naming Code-Analysis #340: Commit b843657 pushed by frederik-sandfort1
September 12, 2024 14:18 5m 19s filter_update
filter_update
September 12, 2024 14:18 5m 19s
linting and ComplexFilter Code-Analysis #339: Commit cfdfd83 pushed by frederik-sandfort1
September 12, 2024 05:32 8m 12s filter_update
filter_update
September 12, 2024 05:32 8m 12s
linting Code-Analysis #338: Commit c0427ab pushed by frederik-sandfort1
September 12, 2024 04:50 2m 44s filter_update
filter_update
September 12, 2024 04:50 2m 44s
Add --check-only flag to isort (#88) Code-Analysis #337: Commit c92225e pushed by c-w-feldmann
September 10, 2024 14:34 5m 53s main
main
September 10, 2024 14:34 5m 53s
Update connected_component_clustering.py Code-Analysis #336: Commit cd4ce55 pushed by c-w-feldmann
September 10, 2024 14:20 2m 46s mess-with-import-order-for-linter-verification
mess-with-import-order-for-linter-verification
September 10, 2024 14:20 2m 46s
Inchitomol (#86) Code-Analysis #335: Commit 69a4577 pushed by frederik-sandfort1
September 10, 2024 14:00 5m 44s main
main
September 10, 2024 14:00 5m 44s
Add --check-only flag Code-Analysis #334: Commit e05b0cc pushed by c-w-feldmann
September 10, 2024 13:40 13m 18s 87-isort-is-missing-check-only
87-isort-is-missing-check-only
September 10, 2024 13:40 13m 18s
Error handling sanitize bug (#85) Code-Analysis #333: Commit 8040ebe pushed by c-w-feldmann
September 10, 2024 13:38 5m 29s 87-isort-is-missing-check-only
87-isort-is-missing-check-only
September 10, 2024 13:38 5m 29s
Merge branch 'main' into inchitomol Code-Analysis #332: Commit b3b6ab2 pushed by frederik-sandfort1
September 10, 2024 12:16 5m 36s inchitomol
inchitomol
September 10, 2024 12:16 5m 36s
add inchitomol element Code-Analysis #331: Commit af89f2f pushed by frederik-sandfort1
September 10, 2024 11:45 15m 46s inchitomol
inchitomol
September 10, 2024 11:45 15m 46s
Error handling sanitize bug (#85) Code-Analysis #330: Commit 8040ebe pushed by frederik-sandfort1
September 10, 2024 11:23 5m 28s main
main
September 10, 2024 11:23 5m 28s
isort on other stuff Code-Analysis #329: Commit cc92334 pushed by frederik-sandfort1
September 10, 2024 08:45 5m 47s error_handling_sanitize_bug
error_handling_sanitize_bug
September 10, 2024 08:45 5m 47s
mol2morgan_fingerprint: remove deprecated fp function Code-Analysis #328: Commit 18a2543 pushed by JochenSiegWork
September 9, 2024 11:04 5m 25s remove_deprecated_fingerprint_function
remove_deprecated_fingerprint_function
September 9, 2024 11:04 5m 25s
Code-Analysis Code-Analysis #327: Scheduled
September 9, 2024 05:12 8m 26s main
main
September 9, 2024 05:12 8m 26s
68 makescaffoldgeneric set all carbons to wild card symbols to allow … Code-Analysis #326: Commit 4f69b9f pushed by c-w-feldmann
September 6, 2024 11:25 5m 15s main
main
September 6, 2024 11:25 5m 15s