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Create chemical record from SMILES using rdkit
Build Wheels #567: Pull request #191 opened by prehner
October 10, 2023 15:28 17m 58s fragmentation_chemical_record
October 10, 2023 15:28 17m 58s
pages build and deployment
pages-build-deployment #112: by github-pages bot
October 6, 2023 11:38 45s gh-pages
October 6, 2023 11:38 45s
Added parameter file from Esper et al (#190)
Deploy Documentation #119: Commit 5a8b844 pushed by g-bauer
October 6, 2023 11:22 16m 34s main
October 6, 2023 11:22 16m 34s
Added parameter file from Esper et al (#190)
Build Wheels #566: Commit 5a8b844 pushed by g-bauer
October 6, 2023 11:22 26m 52s main
October 6, 2023 11:22 26m 52s
Added parameter file from Esper et al (#190)
Test #519: Commit 5a8b844 pushed by g-bauer
October 6, 2023 11:22 5m 35s main
October 6, 2023 11:22 5m 35s
Added parameter file from Esper et al
Test #518: Pull request #190 synchronize by g-bauer
October 6, 2023 11:13 5m 28s esper_parameter
October 6, 2023 11:13 5m 28s
Added parameter file from Esper et al
Build Wheels #565: Pull request #190 synchronize by g-bauer
October 6, 2023 11:13 21m 45s esper_parameter
October 6, 2023 11:13 21m 45s
Added parameter file from Esper et al
Build Wheels #564: Pull request #190 opened by g-bauer
October 5, 2023 09:41 28m 16s esper_parameter
October 5, 2023 09:41 28m 16s
Added parameter file from Esper et al
Test #517: Pull request #190 opened by g-bauer
October 5, 2023 09:41 5m 36s esper_parameter
October 5, 2023 09:41 5m 36s
pages build and deployment
pages-build-deployment #111: by github-pages bot
September 23, 2023 15:12 36s gh-pages
September 23, 2023 15:12 36s
Go back to eigenvalue calculation in num_dual (#189)
Deploy Documentation #118: Commit 7e57141 pushed by prehner
September 23, 2023 14:54 18m 7s main
September 23, 2023 14:54 18m 7s
Go back to eigenvalue calculation in num_dual (#189)
Test #516: Commit 7e57141 pushed by prehner
September 23, 2023 14:54 5m 20s main
September 23, 2023 14:54 5m 20s
Go back to eigenvalue calculation in num_dual (#189)
Build Wheels #563: Commit 7e57141 pushed by prehner
September 23, 2023 14:54 23m 53s main
September 23, 2023 14:54 23m 53s
Go back to eigenvalue calculation in num_dual
Test #515: Pull request #189 opened by prehner
September 20, 2023 16:05 6m 45s eigenvalues_num_dual
September 20, 2023 16:05 6m 45s
Go back to eigenvalue calculation in num_dual
Build Wheels #562: Pull request #189 opened by prehner
September 20, 2023 16:05 25m 0s eigenvalues_num_dual
September 20, 2023 16:05 25m 0s
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