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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
Fix bug in issue #235 (#239) Linter #830: Commit d51bd50 pushed by dbkchu
June 8, 2024 02:33 34s main
main
June 8, 2024 02:33 34s
Fix bug in issue #235 Linter #829: Pull request #239 opened by dbkchu
June 8, 2024 02:17 37s 235-missing-file-lineardat
235-missing-file-lineardat
June 8, 2024 02:17 37s
Add option for jobmanager-style naming (#198) Linter #828: Commit 47a5810 pushed by dbkchu
June 7, 2024 23:24 33s main
main
June 7, 2024 23:24 33s
Fix ligand dict (#236) Linter #827: Commit e40931b pushed by dbkchu
June 7, 2024 23:16 34s main
main
June 7, 2024 23:16 34s
Fix ligand dict Linter #826: Pull request #236 synchronize by dbkchu
June 7, 2024 22:55 31s fix-ligands-dict
fix-ligands-dict
June 7, 2024 22:55 31s
update CI Linter #825: Pull request #238 opened by dbkchu
June 7, 2024 22:52 33s dbkchu-CI-update
dbkchu-CI-update
June 7, 2024 22:52 33s
Add "main" to branches checked Linter #824: Pull request #237 synchronize by pre-commit-ci bot
June 7, 2024 22:51 31s dbkchu-CI-update
dbkchu-CI-update
June 7, 2024 22:51 31s
Add "main" to branches checked Linter #823: Pull request #237 opened by dbkchu
June 7, 2024 22:51 36s dbkchu-CI-update
dbkchu-CI-update
June 7, 2024 22:51 36s
Fix ligand dict Linter #822: Pull request #236 synchronize by pre-commit-ci bot
June 7, 2024 22:07 31s fix-ligands-dict
fix-ligands-dict
June 7, 2024 22:07 31s
Fix ligand dict Linter #821: Pull request #236 opened by dbkchu
June 7, 2024 22:07 35s fix-ligands-dict
fix-ligands-dict
June 7, 2024 22:07 35s
1d rod update pt 2 Linter #820: Commit 79718e1 pushed by dbkchu
June 7, 2024 20:22 34s main
main
June 7, 2024 20:22 34s
1d rod update pt 2 Linter #819: Commit 79718e1 pushed by gianmarco-terrones
June 7, 2024 06:47 37s master
master
June 7, 2024 06:47 37s
Merge pull request #233 from hjkgrp/mol3D_addition Linter #818: Commit cb8a04d pushed by gianmarco-terrones
May 9, 2024 03:28 39s master
master
May 9, 2024 03:28 39s
new function get_molecular_mass Linter #817: Pull request #233 synchronize by gianmarco-terrones
May 9, 2024 03:14 45s mol3D_addition
mol3D_addition
May 9, 2024 03:14 45s
new function get_molecular_mass Linter #816: Pull request #233 opened by gianmarco-terrones
May 9, 2024 03:12 33s mol3D_addition
mol3D_addition
May 9, 2024 03:12 33s
Merge pull request #213 from hjkgrp/geometry_changes Linter #815: Commit ba0ef66 pushed by aarongarrison
May 7, 2024 17:54 34s master
master
May 7, 2024 17:54 34s
Merge pull request #231 from hjkgrp/pre-commit-ci-update-config Linter #814: Commit da4d0c4 pushed by ralf-meyer
May 7, 2024 13:10 47s master
master
May 7, 2024 13:10 47s
[pre-commit.ci] pre-commit autoupdate Linter #813: Pull request #231 opened by pre-commit-ci bot
May 6, 2024 22:57 40s pre-commit-ci-update-config
pre-commit-ci-update-config
May 6, 2024 22:57 40s
Merge pull request #229 from hjkgrp/permutational_kernel Linter #812: Commit bf9b0e5 pushed by ralf-meyer
May 6, 2024 17:39 39s master
master
May 6, 2024 17:39 39s
Permutation invariant ML models Linter #811: Pull request #229 synchronize by ralf-meyer
May 6, 2024 16:45 36s permutational_kernel
permutational_kernel
May 6, 2024 16:45 36s
Merge pull request #230 from hjkgrp/metal_autocorrelation Linter #810: Commit 2959f90 pushed by gianmarco-terrones
May 6, 2024 16:17 34s master
master
May 6, 2024 16:17 34s
guardrail print statements Linter #809: Pull request #230 synchronize by pre-commit-ci bot
May 6, 2024 15:28 39s metal_autocorrelation
metal_autocorrelation
May 6, 2024 15:28 39s
guardrail print statements Linter #808: Pull request #230 opened by gianmarco-terrones
May 6, 2024 15:28 40s metal_autocorrelation
metal_autocorrelation
May 6, 2024 15:28 40s