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utils: add own _print_elapsed_time Code-Analysis #90: Commit d9f4e5e pushed by JochenSiegWork
May 22, 2024 13:29 2m 48s adapt_own_time_elapsed_from_sklearn
adapt_own_time_elapsed_from_sklearn
May 22, 2024 13:29 2m 48s
Merge pull request #12 from basf/update-docsig-settings Code-Analysis #89: Commit f3c7007 pushed by c-w-feldmann
May 21, 2024 08:30 6m 14s main
main
May 21, 2024 08:30 6m 14s
Merge branch 'main' into update-docsig-settings Code-Analysis #88: Commit f500419 pushed by c-w-feldmann
May 17, 2024 15:26 5m 55s update-docsig-settings
update-docsig-settings
May 17, 2024 15:26 5m 55s
Merge pull request #11 from basf/extend_error_handling_physchem_rdkit Code-Analysis #87: Commit 22da6cb pushed by JochenSiegWork
May 17, 2024 15:23 8m 35s main
main
May 17, 2024 15:23 8m 35s
mol2rdkit_phys_chem: descriptor_list ignore None type in setter Code-Analysis #86: Commit 0cf3896 pushed by JochenSiegWork
May 17, 2024 15:09 7m 39s extend_error_handling_physchem_rdkit
extend_error_handling_physchem_rdkit
May 17, 2024 15:09 7m 39s
Merge branch 'main' into extend_error_handling_physchem_rdkit Code-Analysis #85: Commit 25298c1 pushed by c-w-feldmann
May 17, 2024 14:51 2m 51s extend_error_handling_physchem_rdkit
extend_error_handling_physchem_rdkit
May 17, 2024 14:51 2m 51s
Merge branch 'main' into update-docsig-settings Code-Analysis #84: Commit d16b712 pushed by c-w-feldmann
May 17, 2024 14:46 7m 37s update-docsig-settings
update-docsig-settings
May 17, 2024 14:46 7m 37s
Merge pull request #13 from basf/refactor-inorganics-filter Code-Analysis #83: Commit 37d8a76 pushed by c-w-feldmann
May 17, 2024 14:44 6m 9s main
main
May 17, 2024 14:44 6m 9s
mol2rdkit_phys_chem: Add setter for descriptor list Code-Analysis #82: Commit 64061a2 pushed by JochenSiegWork
May 17, 2024 14:28 3m 6s extend_error_handling_physchem_rdkit
extend_error_handling_physchem_rdkit
May 17, 2024 14:28 3m 6s
only check small molecules to improve performance Code-Analysis #81: Commit 57b1eed pushed by c-w-feldmann
May 17, 2024 13:48 7m 18s refactor-inorganics-filter
refactor-inorganics-filter
May 17, 2024 13:48 7m 18s
Return from property docstring Code-Analysis #80: Commit 1b08d36 pushed by c-w-feldmann
May 17, 2024 12:58 6m 42s update-docsig-settings
update-docsig-settings
May 17, 2024 12:58 6m 42s
mol2rdkit_phys_chem: remove usage of old param name Code-Analysis #79: Commit 0749536 pushed by JochenSiegWork
May 16, 2024 15:52 6m 3s extend_error_handling_physchem_rdkit
extend_error_handling_physchem_rdkit
May 16, 2024 15:52 6m 3s
mol2rdkit_phys_chem: better naming and linting suggestions Code-Analysis #78: Commit 37cb2bd pushed by JochenSiegWork
May 16, 2024 15:44 3m 33s extend_error_handling_physchem_rdkit
extend_error_handling_physchem_rdkit
May 16, 2024 15:44 3m 33s
mol2rdkit_phys_chem: catch and log exceptions Code-Analysis #77: Commit 998bdb8 pushed by JochenSiegWork
May 16, 2024 15:30 7m 44s extend_error_handling_physchem_rdkit
extend_error_handling_physchem_rdkit
May 16, 2024 15:30 7m 44s
mol2rdkit_phys_chem: make failure on any error optional Code-Analysis #76: Commit 19182a6 pushed by JochenSiegWork
May 16, 2024 14:14 10m 16s extend_error_handling_physchem_rdkit
extend_error_handling_physchem_rdkit
May 16, 2024 14:14 10m 16s
except error Code-Analysis #75: Commit 80c3624 pushed by JenniferHem
May 16, 2024 07:54 4m 19s except-calculation-error-physchem
except-calculation-error-physchem
May 16, 2024 07:54 4m 19s
release v0.8.1 version bump Code-Analysis #74: Commit 0cb53ea pushed by JenniferHem
May 16, 2024 07:53 6m 1s except-calculation-error-physchem
except-calculation-error-physchem
May 16, 2024 07:53 6m 1s
v0.8.1 Upload Python Package #4: Release v0.8.1 published by JochenSiegWork
May 15, 2024 12:18 47s
May 15, 2024 12:18 47s
release v0.8.1 version bump Code-Analysis #73: Commit 0cb53ea pushed by JochenSiegWork
May 15, 2024 12:11 13m 5s main
main
May 15, 2024 12:11 13m 5s
Code-Analysis Code-Analysis #72: by JochenSiegWork
May 15, 2024 12:10 8m 48s v0.8.1
v0.8.1
May 15, 2024 12:10 8m 48s
Merge pull request #10 from basf/add-inorganic-filter Code-Analysis #71: Commit 006cd00 pushed by JenniferHem
May 15, 2024 12:00 7m 31s main
main
May 15, 2024 12:00 7m 31s
rename default elements Code-Analysis #70: Commit 40cfb0d pushed by JenniferHem
May 15, 2024 11:48 7m 0s add-inorganic-filter
add-inorganic-filter
May 15, 2024 11:48 7m 0s
add test for inorganics Code-Analysis #69: Commit 716c5bc pushed by JenniferHem
May 15, 2024 11:44 2m 50s add-inorganic-filter
add-inorganic-filter
May 15, 2024 11:44 2m 50s
Merge pull request #9 from basf/add-required-skelarn-features-for-che… Code-Analysis #68: Commit a35458a pushed by JochenSiegWork
May 15, 2024 07:10 8m 48s main
main
May 15, 2024 07:10 8m 48s
add test for json serialization Code-Analysis #67: Commit c4a150c pushed by c-w-feldmann
May 14, 2024 08:18 6m 28s add-required-skelarn-features-for-chemprop
add-required-skelarn-features-for-chemprop
May 14, 2024 08:18 6m 28s
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