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SMILES extension and depiction of multipart reactions
build #557: Pull request #986 opened by johnmay
July 26, 2023 20:40 23m 6s multistep-smiles
July 26, 2023 20:40 23m 6s
Merge pull request #985 from cdk/patch/depsUpdates
build #556: Commit 876075e pushed by johnmay
July 10, 2023 09:55 18m 1s main
July 10, 2023 09:55 18m 1s
Updates of a few dependencies
build #555: Pull request #985 synchronize by egonw
July 9, 2023 09:14 6h 0m 12s patch/depsUpdates
July 9, 2023 09:14 6h 0m 12s
Updates of a few dependencies
build #554: Pull request #985 opened by egonw
July 9, 2023 07:51 28m 29s patch/depsUpdates
July 9, 2023 07:51 28m 29s
Updated the AUTHORS for recent work
build #553: Commit 156df25 pushed by egonw
June 28, 2023 04:37 20m 14s main
June 28, 2023 04:37 20m 14s
Update documentation on PubChem fingerprinter.
build #552: Commit f8dff6f pushed by egonw
June 28, 2023 04:22 16m 54s main
June 28, 2023 04:22 16m 54s
Update documentation on PubChem fingerprinter.
build #551: Pull request #984 opened by johnmay
June 27, 2023 20:07 11m 52s pubchem-fp-doc
June 27, 2023 20:07 11m 52s
Merge pull request #982 from egonw/local/fix/boundingbox
build #550: Commit ef7712c pushed by johnmay
June 23, 2023 11:13 12m 13s main
June 23, 2023 11:13 12m 13s
Set the stack size in the argLine.
build #548: Commit 0f46285 pushed by egonw
June 23, 2023 08:27 19m 52s main
June 23, 2023 08:27 19m 52s
Merge pull request #980 from parit/molToTitle
build #546: Commit 855b3ae pushed by johnmay
June 23, 2023 07:49 25m 48s main
June 23, 2023 07:49 25m 48s
Propogating molecule id in svg to the corresponding title element
build #544: Pull request #980 opened by parit
June 22, 2023 11:13 20m 29s parit:molToTitle
June 22, 2023 11:13 20m 29s
added test case for initial cycles oom
build #540: Pull request #977 opened by uli-f
June 8, 2023 06:23 10m 26s uli-f:oom_initial_cycles
June 8, 2023 06:23 10m 26s
More consistent MOLfile/SDfile property handling.
build #539: Pull request #972 synchronize by johnmay
May 12, 2023 08:28 11m 11s mdl-sdprops
May 12, 2023 08:28 11m 11s
More consistent MOLfile/SDfile property handling.
build #538: Pull request #972 synchronize by johnmay
May 12, 2023 08:25 13m 11s mdl-sdprops
May 12, 2023 08:25 13m 11s
More consistent MOLfile/SDfile property handling.
build #537: Pull request #972 synchronize by johnmay
May 11, 2023 15:17 12m 29s mdl-sdprops
May 11, 2023 15:17 12m 29s
More consistent MOLfile/SDfile property handling.
build #536: Pull request #972 synchronize by johnmay
May 11, 2023 15:05 11m 47s mdl-sdprops
May 11, 2023 15:05 11m 47s
More consistent MOLfile/SDfile property handling.
build #535: Pull request #972 synchronize by johnmay
May 11, 2023 10:10 21m 31s mdl-sdprops
May 11, 2023 10:10 21m 31s
Improved PubChem Fingerprinter through comparission to the CACTVS_SUB…
build #534: Commit 82d8098 pushed by egonw
April 27, 2023 17:35 16m 54s main
April 27, 2023 17:35 16m 54s
More consistent MOLfile/SDfile property handling.
build #532: Pull request #972 synchronize by johnmay
April 23, 2023 19:42 11m 9s mdl-sdprops
April 23, 2023 19:42 11m 9s