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Update versions of pre-commit tools
Validation #19: Pull request #21 synchronize by maabuu
November 21, 2023 21:52 1m 9s update_dev_tools
November 21, 2023 21:52 1m 9s
Update versions of pre-commit tools
Validation #18: Pull request #21 opened by maabuu
November 21, 2023 21:30 45s update_dev_tools
November 21, 2023 21:30 45s
Update versions of pre-commit tools
Testing #18: Pull request #21 opened by maabuu
November 21, 2023 21:30 4m 13s update_dev_tools
November 21, 2023 21:30 4m 13s
Add intercentroid distance
Validation #17: Pull request #20 opened by maabuu
November 21, 2023 20:25 48s add_centroid_distance_and_kabsch_rmsd
November 21, 2023 20:25 48s
Add intercentroid distance
Testing #17: Pull request #20 opened by maabuu
November 21, 2023 20:25 4m 20s add_centroid_distance_and_kabsch_rmsd
November 21, 2023 20:25 4m 20s
Security
Security #37: Scheduled
November 3, 2023 02:51 1m 54s main
November 3, 2023 02:51 1m 54s
v0.2.7
Publishing #19: Release v0.2.7 created by maabuu
October 18, 2023 08:58 35s
October 18, 2023 08:58 35s
Bug fix for EM
Validation #16: Pull request #17 opened by maabuu
October 18, 2023 08:44 1m 25s dev_check_em_inchi
October 18, 2023 08:44 1m 25s
Bug fix for EM
Testing #16: Pull request #17 opened by maabuu
October 18, 2023 08:44 5m 17s dev_check_em_inchi
October 18, 2023 08:44 5m 17s
Security
Security #36: Scheduled
October 3, 2023 02:51 3m 0s main
October 3, 2023 02:51 3m 0s
v0.2.6
Publishing #18: Release v0.2.6 created by maabuu
September 22, 2023 13:22 27s
September 22, 2023 13:22 27s
Fix water test config
Validation #15: Pull request #14 opened by maabuu
September 22, 2023 13:08 1m 15s dev
dev
September 22, 2023 13:08 1m 15s
Fix water test config
Testing #15: Pull request #14 opened by maabuu
September 22, 2023 13:08 7m 51s dev
dev
September 22, 2023 13:08 7m 51s
v0.2.5
Publishing #17: Release v0.2.5 created by maabuu
September 6, 2023 23:34 32s
September 6, 2023 23:34 32s
Allow passing mol object
Testing #14: Pull request #12 synchronize by maabuu
September 6, 2023 23:25 6m 56s develop
September 6, 2023 23:25 6m 56s
Allow passing mol object
Validation #14: Pull request #12 synchronize by maabuu
September 6, 2023 23:25 1m 18s develop
September 6, 2023 23:25 1m 18s
Allow passing mol object
Testing #13: Pull request #12 opened by maabuu
September 6, 2023 23:19 6m 25s develop
September 6, 2023 23:19 6m 25s
Allow passing mol object
Validation #13: Pull request #12 opened by maabuu
September 6, 2023 23:19 1m 21s develop
September 6, 2023 23:19 1m 21s
Security
Security #35: Scheduled
September 3, 2023 02:51 3m 20s main
September 3, 2023 02:51 3m 20s
v0.2.4
Publishing #16: Release v0.2.4 created by maabuu
August 25, 2023 21:51 24s
August 25, 2023 21:51 24s
Publishing
Publishing #15: Manually run by maabuu
August 25, 2023 21:46 32s main
August 25, 2023 21:46 32s
Develop
Testing #12: Pull request #10 opened by maabuu
August 25, 2023 19:03 5m 49s develop
August 25, 2023 19:03 5m 49s
Develop
Validation #12: Pull request #10 opened by maabuu
August 25, 2023 19:03 1m 34s develop
August 25, 2023 19:03 1m 34s
Publishing
Publishing #14: Manually run by maabuu
August 24, 2023 06:58 27s main
August 24, 2023 06:58 27s
Bug fixes and command line interface improvements
Testing #11: Pull request #8 synchronize by maabuu
August 23, 2023 22:13 4m 59s develop
August 23, 2023 22:13 4m 59s