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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
set path explicit to none if path == current_path Code-Analysis #66: Commit 63a3f52 pushed by c-w-feldmann
May 14, 2024 08:08 6m 0s add-required-skelarn-features-for-chemprop
add-required-skelarn-features-for-chemprop
May 14, 2024 08:08 6m 0s
remove trainer and callbacks from lightning params as not serializable Code-Analysis #65: Commit 51c1608 pushed by c-w-feldmann
May 14, 2024 08:03 6m 10s add-required-skelarn-features-for-chemprop
add-required-skelarn-features-for-chemprop
May 14, 2024 08:03 6m 10s
require at least chemprop 2.0.0 Code-Analysis #64: Commit 5db8b66 pushed by c-w-feldmann
May 13, 2024 19:37 6m 1s add-required-skelarn-features-for-chemprop
add-required-skelarn-features-for-chemprop
May 13, 2024 19:37 6m 1s
black Code-Analysis #63: Commit a887f4f pushed by c-w-feldmann
May 13, 2024 17:29 6m 48s add-inorganic-filter
add-inorganic-filter
May 13, 2024 17:29 6m 48s
exclude CO and CO2 from consideration Code-Analysis #62: Commit 3f5be17 pushed by c-w-feldmann
May 13, 2024 17:23 2m 50s add-inorganic-filter
add-inorganic-filter
May 13, 2024 17:23 2m 50s
Iterable -> Sequence Code-Analysis #61: Commit 8c6eac7 pushed by c-w-feldmann
May 13, 2024 16:56 6m 0s add-required-skelarn-features-for-chemprop
add-required-skelarn-features-for-chemprop
May 13, 2024 16:56 6m 0s
Improve documentation Code-Analysis #60: Commit 1c3bfe1 pushed by c-w-feldmann
May 13, 2024 16:53 3m 3s add-required-skelarn-features-for-chemprop
add-required-skelarn-features-for-chemprop
May 13, 2024 16:53 3m 3s
Merge pull request #5 from basf/add-pl-lightning-params Code-Analysis #59: Commit b9cbfaa pushed by c-w-feldmann
May 13, 2024 15:04 8m 32s add-required-skelarn-features-for-chemprop
add-required-skelarn-features-for-chemprop
May 13, 2024 15:04 8m 32s
Merge pull request #5 from basf/add-pl-lightning-params Code-Analysis #58: Commit b9cbfaa pushed by c-w-feldmann
May 13, 2024 15:01 7m 39s add_classes
add_classes
May 13, 2024 15:01 7m 39s
tests: delete unused dir Code-Analysis #57: Commit ff43385 pushed by JochenSiegWork
May 13, 2024 14:29 10m 12s main
main
May 13, 2024 14:29 10m 12s
tests: delete unused dir Code-Analysis #56: Commit 40efb16 pushed by JochenSiegWork
May 13, 2024 14:14 11m 21s remove_unused_dir_in_tests
remove_unused_dir_in_tests
May 13, 2024 14:14 11m 21s
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