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Fix: RDKit geometry generation for tricky cases
lint #156: Pull request #586 opened by avcopan
December 2, 2024 20:19 1m 36s avcopan:dev
December 2, 2024 20:19 1m 36s
Merge pull request #585 from avcopan/dev
lint #155: Commit 6214499 pushed by avcopan
December 2, 2024 19:37 1m 35s dev
dev
December 2, 2024 19:37 1m 35s
Fix: Handling of multiple bridgehead atom pairs
lint #154: Pull request #585 opened by avcopan
December 2, 2024 19:11 1m 24s avcopan:dev
December 2, 2024 19:11 1m 24s
Merge pull request #584 from avcopan/dev
lint #153: Commit ae8d6f7 pushed by avcopan
December 2, 2024 14:15 1m 51s dev
dev
December 2, 2024 14:15 1m 51s
Fix: Stereo handling for double bridgehead case
lint #152: Pull request #584 opened by avcopan
November 29, 2024 21:49 1m 38s avcopan:dev
November 29, 2024 21:49 1m 38s
Merge pull request #583 from snelliott/arbitrary_reaction
lint #151: Commit 2a34b5b pushed by snelliott
November 25, 2024 15:44 5m 23s arbitrary_reaction
November 25, 2024 15:44 5m 23s
Merge pull request #582 from andrydella/dev
lint #150: Commit 3095b1a pushed by avcopan
November 25, 2024 14:50 5m 32s dev
dev
November 25, 2024 14:50 5m 32s
Arbitrary reaction
lint #149: Pull request #583 opened by snelliott
November 25, 2024 14:46 5m 35s snelliott:arbitrary_reaction
November 25, 2024 14:46 5m 35s
Dev
lint #148: Pull request #582 opened by andrydella
November 4, 2024 10:26 1m 37s andrydella:dev
November 4, 2024 10:26 1m 37s
Merge pull request #581 from avcopan/dev
lint #147: Commit 7269c5e pushed by avcopan
November 1, 2024 21:05 1m 37s dev
dev
November 1, 2024 21:05 1m 37s
New: Function for cleaning TS zmat from zrxn
lint #146: Pull request #581 opened by avcopan
November 1, 2024 18:25 1m 27s avcopan:dev
November 1, 2024 18:25 1m 27s
Merge pull request #580 from avcopan/dev
lint #145: Commit f459d5d pushed by avcopan
October 29, 2024 13:27 1m 33s dev
dev
October 29, 2024 13:27 1m 33s
Fix: Allow signed integers for adj. list charge
lint #144: Pull request #580 opened by avcopan
October 29, 2024 12:53 1m 40s avcopan:dev
October 29, 2024 12:53 1m 40s
Merge pull request #579 from avcopan/dev
lint #143: Commit 14b00f8 pushed by avcopan
October 28, 2024 13:41 1m 28s dev
dev
October 28, 2024 13:41 1m 28s
Fix: Tricky single-atom stereocenter corrections
lint #142: Pull request #579 opened by avcopan
October 25, 2024 21:36 1m 28s avcopan:dev
October 25, 2024 21:36 1m 28s
Merge pull request #578 from avcopan/dev
lint #141: Commit ce8071c pushed by avcopan
October 25, 2024 19:49 1m 29s dev
dev
October 25, 2024 19:49 1m 29s
Fixes tests and allows enantiomer filtering on reaction ID
lint #140: Pull request #578 opened by avcopan
October 25, 2024 19:23 1m 32s avcopan:dev
October 25, 2024 19:23 1m 32s
Merge pull request #577 from avcopan/dev
lint #139: Commit 9c7e1ba pushed by avcopan
October 25, 2024 18:26 1m 37s dev
dev
October 25, 2024 18:26 1m 37s
Fix: TS diasteriomer expansion w/ reagent matching
lint #138: Pull request #577 opened by avcopan
October 25, 2024 18:12 1m 36s avcopan:dev
October 25, 2024 18:12 1m 36s
Merge pull request #576 from avcopan/dev
lint #137: Commit e837794 pushed by avcopan
October 24, 2024 21:13 1m 50s dev
dev
October 24, 2024 21:13 1m 50s
Fix: Identify redundant dihedrals for linear fragments
lint #136: Pull request #576 opened by avcopan
October 24, 2024 21:13 1m 53s avcopan:dev
October 24, 2024 21:13 1m 53s
October 16, 2024 10:41 1m 50s
dont reorder atoms you dummy
lint #134: Pull request #575 opened by snelliott
October 16, 2024 10:41 1m 48s snelliott:arbitrary_reaction
October 16, 2024 10:41 1m 48s
October 14, 2024 15:52 1m 29s
Arbitrary reaction
lint #132: Pull request #574 synchronize by snelliott
October 14, 2024 15:50 1m 19s snelliott:arbitrary_reaction
October 14, 2024 15:50 1m 19s