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RMSD including initial alignment by principal moments of inertia (#242) Pytest #156: Commit a9eeff8 pushed by aarongarrison
June 18, 2024 21:22 11m 48s main
main
June 18, 2024 21:22 11m 48s
RMSD including initial alignment by principal moments of inertia Pytest #155: Pull request #242 synchronize by aarongarrison
June 18, 2024 20:55 12m 8s rmsd_inertia
rmsd_inertia
June 18, 2024 20:55 12m 8s
RMSD including initial alignment by principal moments of inertia Pytest #154: Pull request #242 synchronize by pre-commit-ci bot
June 18, 2024 14:46 11m 43s rmsd_inertia
rmsd_inertia
June 18, 2024 14:46 11m 43s
RMSD including initial alignment by principal moments of inertia Pytest #153: Pull request #242 opened by aarongarrison
June 18, 2024 14:45 11m 56s rmsd_inertia
rmsd_inertia
June 18, 2024 14:45 11m 56s
Fix bug in issue #235 (#239) Pytest #152: Commit d51bd50 pushed by dbkchu
June 8, 2024 02:33 11m 58s main
main
June 8, 2024 02:33 11m 58s
Fix bug in issue #235 Pytest #151: Pull request #239 opened by dbkchu
June 8, 2024 02:17 14m 7s 235-missing-file-lineardat
235-missing-file-lineardat
June 8, 2024 02:17 14m 7s
Add option for jobmanager-style naming (#198) Pytest #150: Commit 47a5810 pushed by dbkchu
June 7, 2024 23:24 11m 47s main
main
June 7, 2024 23:24 11m 47s
Fix ligand dict (#236) Pytest #149: Commit e40931b pushed by dbkchu
June 7, 2024 23:16 11m 28s main
main
June 7, 2024 23:16 11m 28s
Fix ligand dict Pytest #148: Pull request #236 synchronize by dbkchu
June 7, 2024 22:55 12m 2s fix-ligands-dict
fix-ligands-dict
June 7, 2024 22:55 12m 2s
Add "main" to branches checked Pytest #147: Pull request #237 synchronize by pre-commit-ci bot
June 7, 2024 22:51 11m 31s dbkchu-CI-update
dbkchu-CI-update
June 7, 2024 22:51 11m 31s
Add "main" to branches checked Pytest #146: Pull request #237 opened by dbkchu
June 7, 2024 22:51 11m 11s dbkchu-CI-update
dbkchu-CI-update
June 7, 2024 22:51 11m 11s
Fix ligand dict Pytest #145: Pull request #236 synchronize by pre-commit-ci bot
June 7, 2024 22:07 11m 45s fix-ligands-dict
fix-ligands-dict
June 7, 2024 22:07 11m 45s
Fix ligand dict Pytest #144: Pull request #236 opened by dbkchu
June 7, 2024 22:07 11m 17s fix-ligands-dict
fix-ligands-dict
June 7, 2024 22:07 11m 17s
1d rod update pt 2 Pytest #143: Commit 79718e1 pushed by dbkchu
June 7, 2024 20:22 11m 19s main
main
June 7, 2024 20:22 11m 19s
1d rod update pt 2 Pytest #142: Commit 79718e1 pushed by gianmarco-terrones
June 7, 2024 06:47 11m 23s master
master
June 7, 2024 06:47 11m 23s
Merge pull request #233 from hjkgrp/mol3D_addition Pytest #141: Commit cb8a04d pushed by gianmarco-terrones
May 9, 2024 03:28 12m 11s master
master
May 9, 2024 03:28 12m 11s
new function get_molecular_mass Pytest #140: Pull request #233 synchronize by gianmarco-terrones
May 9, 2024 03:14 12m 9s mol3D_addition
mol3D_addition
May 9, 2024 03:14 12m 9s
new function get_molecular_mass Pytest #139: Pull request #233 opened by gianmarco-terrones
May 9, 2024 03:12 12m 12s mol3D_addition
mol3D_addition
May 9, 2024 03:12 12m 12s
Merge pull request #213 from hjkgrp/geometry_changes Pytest #138: Commit ba0ef66 pushed by aarongarrison
May 7, 2024 17:54 12m 0s master
master
May 7, 2024 17:54 12m 0s
Merge pull request #231 from hjkgrp/pre-commit-ci-update-config Pytest #137: Commit da4d0c4 pushed by ralf-meyer
May 7, 2024 13:10 12m 11s master
master
May 7, 2024 13:10 12m 11s
[pre-commit.ci] pre-commit autoupdate Pytest #136: Pull request #231 opened by pre-commit-ci bot
May 6, 2024 22:57 14m 51s pre-commit-ci-update-config
pre-commit-ci-update-config
May 6, 2024 22:57 14m 51s
Merge pull request #229 from hjkgrp/permutational_kernel Pytest #135: Commit bf9b0e5 pushed by ralf-meyer
May 6, 2024 17:39 24m 55s master
master
May 6, 2024 17:39 24m 55s
Permutation invariant ML models Pytest #134: Pull request #229 synchronize by ralf-meyer
May 6, 2024 16:45 16m 13s permutational_kernel
permutational_kernel
May 6, 2024 16:45 16m 13s
Merge pull request #230 from hjkgrp/metal_autocorrelation Pytest #133: Commit 2959f90 pushed by gianmarco-terrones
May 6, 2024 16:17 11m 36s master
master
May 6, 2024 16:17 11m 36s
guardrail print statements Pytest #132: Pull request #230 synchronize by pre-commit-ci bot
May 6, 2024 15:28 11m 30s metal_autocorrelation
metal_autocorrelation
May 6, 2024 15:28 11m 30s