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Merge pull request #577 from avcopan/dev
docs #139: Commit 9c7e1ba pushed by avcopan
October 25, 2024 18:26 42s dev
dev
October 25, 2024 18:26 42s
Fix: TS diasteriomer expansion w/ reagent matching
docs #138: Pull request #577 opened by avcopan
October 25, 2024 18:12 43s avcopan:dev
October 25, 2024 18:12 43s
Merge pull request #576 from avcopan/dev
docs #137: Commit e837794 pushed by avcopan
October 24, 2024 21:13 51s dev
dev
October 24, 2024 21:13 51s
Fix: Identify redundant dihedrals for linear fragments
docs #136: Pull request #576 opened by avcopan
October 24, 2024 21:13 53s avcopan:dev
October 24, 2024 21:13 53s
dont reorder atoms you dummy
docs #134: Pull request #575 opened by snelliott
October 16, 2024 10:41 51s snelliott:arbitrary_reaction
October 16, 2024 10:41 51s
Arbitrary reaction
docs #132: Pull request #574 synchronize by snelliott
October 14, 2024 15:50 48s snelliott:arbitrary_reaction
October 14, 2024 15:50 48s
Arbitrary reaction
docs #131: Pull request #574 opened by snelliott
October 14, 2024 15:16 39s snelliott:arbitrary_reaction
October 14, 2024 15:16 39s
Merge pull request #573 from lpratalimaffei/dev
docs #130: Commit f10cd70 pushed by snelliott
October 14, 2024 15:16 39s arbitrary_reaction
October 14, 2024 15:16 39s
Merge pull request #573 from lpratalimaffei/dev
docs #129: Commit f10cd70 pushed by lpratalimaffei
October 12, 2024 16:18 40s dev
dev
October 12, 2024 16:18 40s
Dev
docs #128: Pull request #573 synchronize by lpratalimaffei
October 12, 2024 15:44 39s lpratalimaffei:dev
October 12, 2024 15:44 39s
Dev
docs #127: Pull request #573 opened by lpratalimaffei
October 11, 2024 16:05 40s lpratalimaffei:dev
October 11, 2024 16:05 40s
Merge pull request #572 from lpratalimaffei/dev
docs #126: Commit 9438691 pushed by lpratalimaffei
October 11, 2024 16:00 1m 6s dev
dev
October 11, 2024 16:00 1m 6s
Dev
docs #125: Pull request #572 opened by lpratalimaffei
October 11, 2024 15:59 1m 5s lpratalimaffei:dev
October 11, 2024 15:59 1m 5s
Merge pull request #571 from avcopan/dev
docs #124: Commit ca9523b pushed by avcopan
September 9, 2024 18:59 39s dev
dev
September 9, 2024 18:59 39s
Fix: Stereo-dependent reaction mapping from geometries
docs #123: Pull request #571 opened by avcopan
September 9, 2024 18:36 42s avcopan:dev
September 9, 2024 18:36 42s
Merge pull request #570 from andrydella/dev
docs #122: Commit b1484fd pushed by avcopan
September 6, 2024 00:47 52s dev
dev
September 6, 2024 00:47 52s
Added rings test functions
docs #121: Pull request #570 opened by andrydella
September 5, 2024 22:44 1m 9s andrydella:dev
September 5, 2024 22:44 1m 9s
Added rings test functions
docs #120: Pull request #569 reopened by andrydella
September 5, 2024 19:59 52s andrydella:dev
September 5, 2024 19:59 52s
Added rings test functions
docs #119: Pull request #569 opened by andrydella
September 5, 2024 19:25 52s andrydella:dev
September 5, 2024 19:25 52s
Merge pull request #568 from avcopan/dev
docs #118: Commit b87fa75 pushed by avcopan
September 3, 2024 19:42 42s dev
dev
September 3, 2024 19:42 42s
New: Function for getting ChI from AMChI
docs #117: Pull request #568 opened by avcopan
September 3, 2024 13:14 40s avcopan:dev
September 3, 2024 13:14 40s
Merge pull request #567 from avcopan/dev
docs #116: Commit bcbbf82 pushed by avcopan
August 30, 2024 21:45 42s dev
dev
August 30, 2024 21:45 42s
New: Projection of torsions / internal rotations from Hessian
docs #115: Pull request #567 opened by avcopan
August 30, 2024 21:20 43s avcopan:dev
August 30, 2024 21:20 43s