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undo change Test code and publish package #621: Commit 0e26047 pushed by stefdoerr
November 3, 2023 09:39 22m 46s main
main
November 3, 2023 09:39 22m 46s
updated secret variable Test code and publish package #620: Commit b5cf5db pushed by stefdoerr
October 25, 2023 11:45 22m 23s main
main
October 25, 2023 11:45 22m 23s
step and time are numpy arrays and should be copied as such Test code and publish package #619: Commit f1db6f7 pushed by stefdoerr
October 24, 2023 09:51 56m 24s 1.8.5
1.8.5
October 24, 2023 09:51 56m 24s
step and time are numpy arrays and should be copied as such Build docs #34: Commit f1db6f7 pushed by stefdoerr
October 24, 2023 09:51 3m 37s 1.8.5
1.8.5
October 24, 2023 09:51 3m 37s
step and time are numpy arrays and should be copied as such Test code and publish package #618: Commit f1db6f7 pushed by stefdoerr
October 24, 2023 09:51 21m 39s main
main
October 24, 2023 09:51 21m 39s
improved advanced copy Test code and publish package #617: Commit 779e5b3 pushed by stefdoerr
October 17, 2023 15:27 53m 32s 1.8.4
1.8.4
October 17, 2023 15:27 53m 32s
improved advanced copy Build docs #33: Commit 779e5b3 pushed by stefdoerr
October 17, 2023 15:27 3m 27s 1.8.4
1.8.4
October 17, 2023 15:27 3m 27s
improved advanced copy Test code and publish package #616: Commit 779e5b3 pushed by stefdoerr
October 17, 2023 15:26 44s main
main
October 17, 2023 15:26 44s
implemented advanced copy functionality Test code and publish package #615: Commit a981db4 pushed by stefdoerr
October 17, 2023 14:26 27m 19s 1.8.3
1.8.3
October 17, 2023 14:26 27m 19s
implemented advanced copy functionality Build docs #32: Commit a981db4 pushed by stefdoerr
October 17, 2023 14:26 3m 52s 1.8.3
1.8.3
October 17, 2023 14:26 3m 52s
implemented advanced copy functionality Test code and publish package #614: Commit a981db4 pushed by stefdoerr
October 17, 2023 14:26 24m 33s main
main
October 17, 2023 14:26 24m 33s
Improvements to parameterizable dihedral detection (#132) Build docs #31: Commit 6087547 pushed by stefdoerr
October 12, 2023 10:34 3m 7s 1.8.2
1.8.2
October 12, 2023 10:34 3m 7s
Improvements to parameterizable dihedral detection (#132) Test code and publish package #613: Commit 6087547 pushed by stefdoerr
October 12, 2023 10:34 54m 14s 1.8.2
1.8.2
October 12, 2023 10:34 54m 14s
Improvements to parameterizable dihedral detection (#132) Test code and publish package #612: Commit 6087547 pushed by stefdoerr
October 12, 2023 10:34 3m 48s main
main
October 12, 2023 10:34 3m 48s
test for all dihedrals Test code and publish package #611: Commit 06e9bea pushed by stefdoerr
October 12, 2023 10:27 10m 2s improve_dihedral_detection
improve_dihedral_detection
October 12, 2023 10:27 10m 2s
forgot test file Test code and publish package #610: Commit 748ac0d pushed by stefdoerr
October 12, 2023 10:19 18m 5s improve_dihedral_detection
improve_dihedral_detection
October 12, 2023 10:19 18m 5s
added formal charge to the weighted centrality score. ensuring we sea… Test code and publish package #609: Commit 3c7ef40 pushed by stefdoerr
October 12, 2023 09:54 18m 30s improve_dihedral_detection
improve_dihedral_detection
October 12, 2023 09:54 18m 30s
added option for skipping dihedrals which end only in hydrogens Build docs #30: Commit 9289b1e pushed by stefdoerr
October 10, 2023 09:07 3m 47s 1.8.1
1.8.1
October 10, 2023 09:07 3m 47s
added option for skipping dihedrals which end only in hydrogens Test code and publish package #608: Commit 9289b1e pushed by stefdoerr
October 10, 2023 09:07 48m 54s 1.8.1
1.8.1
October 10, 2023 09:07 48m 54s
added option for skipping dihedrals which end only in hydrogens Test code and publish package #607: Commit 9289b1e pushed by stefdoerr
October 10, 2023 09:07 21m 1s main
main
October 10, 2023 09:07 21m 1s
update tests for latest rdkit Test code and publish package #606: Commit 32e43c6 pushed by stefdoerr
October 9, 2023 11:46 21m 30s main
main
October 9, 2023 11:46 21m 30s
updated rdkit version Test code and publish package #605: Commit 06a3250 pushed by stefdoerr
October 9, 2023 09:43 19m 6s main
main
October 9, 2023 09:43 19m 6s
rebranded NAP to PMView Test code and publish package #604: Commit db2cb37 pushed by stefdoerr
October 6, 2023 15:22 7m 59s 1.8.0
1.8.0
October 6, 2023 15:22 7m 59s
rebranded NAP to PMView Build docs #29: Commit db2cb37 pushed by stefdoerr
October 6, 2023 15:22 3m 11s 1.8.0
1.8.0
October 6, 2023 15:22 3m 11s
rebranded NAP to PMView Test code and publish package #603: Commit db2cb37 pushed by stefdoerr
October 6, 2023 15:22 8m 13s main
main
October 6, 2023 15:22 8m 13s