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new mol3D function for reading from .mol file Linter #855: Pull request #253 synchronize by pre-commit-ci bot
July 23, 2024 11:55 45s read_from_MOL_file
read_from_MOL_file
July 23, 2024 11:55 45s
new mol3D function for reading from .mol file Linter #854: Pull request #253 synchronize by gianmarco-terrones
July 23, 2024 11:55 39s read_from_MOL_file
read_from_MOL_file
July 23, 2024 11:55 39s
new mol3D function for reading from .mol file Linter #853: Pull request #253 opened by gianmarco-terrones
July 23, 2024 02:04 41s read_from_MOL_file
read_from_MOL_file
July 23, 2024 02:04 41s
Improving align_rmsd (#248) Linter #852: Commit a6909d0 pushed by aarongarrison
July 22, 2024 15:05 41s main
main
July 22, 2024 15:05 41s
Improving align_rmsd Linter #851: Pull request #248 synchronize by pre-commit-ci bot
July 22, 2024 14:45 40s rmsd_inertia
rmsd_inertia
July 22, 2024 14:45 40s
Improving align_rmsd Linter #850: Pull request #248 synchronize by aarongarrison
July 22, 2024 14:45 39s rmsd_inertia
rmsd_inertia
July 22, 2024 14:45 39s
Improving align_rmsd Linter #849: Pull request #248 synchronize by pre-commit-ci bot
July 22, 2024 13:38 43s rmsd_inertia
rmsd_inertia
July 22, 2024 13:38 43s
Improving align_rmsd Linter #848: Pull request #248 synchronize by aarongarrison
July 22, 2024 13:37 39s rmsd_inertia
rmsd_inertia
July 22, 2024 13:37 39s
Update ci (#252) Linter #847: Commit 88d4050 pushed by dbkchu
July 19, 2024 21:30 42s main
main
July 19, 2024 21:30 42s
Update ci Linter #846: Pull request #252 synchronize by dbkchu
July 19, 2024 20:38 43s update-ci
update-ci
July 19, 2024 20:38 43s
Update ci Linter #845: Pull request #252 synchronize by dbkchu
July 19, 2024 20:37 41s update-ci
update-ci
July 19, 2024 20:37 41s
Update ci Linter #844: Pull request #252 opened by dbkchu
July 19, 2024 20:26 47s update-ci
update-ci
July 19, 2024 20:26 47s
replace PF3 with SMILES generated mol2 (#251) Linter #843: Commit e2464e0 pushed by dbkchu
July 19, 2024 17:52 33s main
main
July 19, 2024 17:52 33s
replace PF3 with SMILES generated mol2 Linter #842: Pull request #251 synchronize by pre-commit-ci bot
July 19, 2024 17:30 38s 250-pf3-mol-file-contains-nf3-structure
250-pf3-mol-file-contains-nf3-structure
July 19, 2024 17:30 38s
replace PF3 with SMILES generated mol2 Linter #841: Pull request #251 opened by dbkchu
July 19, 2024 17:29 39s 250-pf3-mol-file-contains-nf3-structure
250-pf3-mol-file-contains-nf3-structure
July 19, 2024 17:29 39s
Merge pull request #249 from hjkgrp/version_1.7.5 Linter #840: Commit 7366dbe pushed by gianmarco-terrones
July 11, 2024 18:06 38s main
main
July 11, 2024 18:06 38s
new version number Linter #839: Pull request #249 opened by gianmarco-terrones
July 11, 2024 17:50 44s version_1.7.5
version_1.7.5
July 11, 2024 17:50 44s
[pre-commit.ci] pre-commit autoupdate (#245) Linter #838: Commit 9a4053a pushed by dbkchu
July 4, 2024 18:53 34s main
main
July 4, 2024 18:53 34s
[pre-commit.ci] pre-commit autoupdate Linter #837: Pull request #245 opened by pre-commit-ci bot
July 2, 2024 01:24 33s pre-commit-ci-update-config
pre-commit-ci-update-config
July 2, 2024 01:24 33s
Merge pull request #244 from hjkgrp/pyproject_toml_update Linter #836: Commit 00e4807 pushed by gianmarco-terrones
June 30, 2024 23:16 43s main
main
June 30, 2024 23:16 43s
changes in response to issue #243 Linter #835: Pull request #244 opened by gianmarco-terrones
June 30, 2024 23:03 1m 5s pyproject_toml_update
pyproject_toml_update
June 30, 2024 23:03 1m 5s
RMSD including initial alignment by principal moments of inertia (#242) Linter #834: Commit a9eeff8 pushed by aarongarrison
June 18, 2024 21:22 34s main
main
June 18, 2024 21:22 34s
RMSD including initial alignment by principal moments of inertia Linter #833: Pull request #242 synchronize by aarongarrison
June 18, 2024 20:55 37s rmsd_inertia
rmsd_inertia
June 18, 2024 20:55 37s
RMSD including initial alignment by principal moments of inertia Linter #832: Pull request #242 synchronize by pre-commit-ci bot
June 18, 2024 14:46 36s rmsd_inertia
rmsd_inertia
June 18, 2024 14:46 36s
RMSD including initial alignment by principal moments of inertia Linter #831: Pull request #242 opened by aarongarrison
June 18, 2024 14:45 39s rmsd_inertia
rmsd_inertia
June 18, 2024 14:45 39s