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Mol2D Linter #742: Pull request #207 synchronize by ralf-meyer
March 15, 2024 02:00 39s mol2D
mol2D
March 15, 2024 02:00 39s
Mol2D Linter #741: Pull request #207 synchronize by ralf-meyer
March 14, 2024 20:54 39s mol2D
mol2D
March 14, 2024 20:54 39s
Mol2D Linter #740: Pull request #207 synchronize by ralf-meyer
March 14, 2024 17:05 37s mol2D
mol2D
March 14, 2024 17:05 37s
Mol2D Linter #739: Pull request #207 synchronize by ralf-meyer
March 14, 2024 16:20 40s mol2D
mol2D
March 14, 2024 16:20 40s
Mol2D Linter #738: Pull request #207 opened by ralf-meyer
March 14, 2024 16:04 38s mol2D
mol2D
March 14, 2024 16:04 38s
added new function to obtain first coordination shell while accountin… Linter #737: Pull request #205 synchronize by iliak14
March 11, 2024 17:01 43s first_shell
first_shell
March 11, 2024 17:01 43s
Merge pull request #206 from hjkgrp/from_smiles Linter #736: Commit 3b66225 pushed by ralf-meyer
March 7, 2024 18:10 41s master
master
March 7, 2024 18:10 41s
Add option to skip 3D generation in getOBMol() Linter #735: Pull request #206 opened by ralf-meyer
March 7, 2024 17:55 36s from_smiles
from_smiles
March 7, 2024 17:55 36s
added new function to obtain first coordination shell while accountin… Linter #734: Pull request #205 synchronize by pre-commit-ci bot
March 6, 2024 19:13 38s first_shell
first_shell
March 6, 2024 19:13 38s
added new function to obtain first coordination shell while accountin… Linter #733: Pull request #205 opened by iliak14
March 6, 2024 19:12 43s first_shell
first_shell
March 6, 2024 19:12 43s
Updated naming schemes for input and jobscript files Linter #732: Pull request #198 synchronize by ralf-meyer
March 5, 2024 16:49 50s input-jobscript-naming
input-jobscript-naming
March 5, 2024 16:49 50s
Merge pull request #204 from hjkgrp/geo_free_RACs Linter #731: Commit 35714b8 pushed by ralf-meyer
March 3, 2024 22:25 38s master
master
March 3, 2024 22:25 38s
Geo free RACs Linter #730: Pull request #204 opened by ralf-meyer
February 26, 2024 22:09 34s geo_free_RACs
geo_free_RACs
February 26, 2024 22:09 34s
Merge pull request #192 from hjkgrp/additional_tests Linter #729: Commit 292cc44 pushed by ralf-meyer
February 26, 2024 21:39 37s master
master
February 26, 2024 21:39 37s
Additional tests Linter #728: Pull request #192 synchronize by ralf-meyer
February 26, 2024 21:26 39s additional_tests
additional_tests
February 26, 2024 21:26 39s
Merge pull request #169 from hjkgrp/type-hinting Linter #727: Commit 9481fd8 pushed by ralf-meyer
February 26, 2024 21:11 40s master
master
February 26, 2024 21:11 40s
Merge pull request #203 from hjkgrp/more_ligand_fixes Linter #726: Commit 21b7db1 pushed by ralf-meyer
February 20, 2024 02:40 37s master
master
February 20, 2024 02:40 37s
Improve documentation of the test case Linter #725: Pull request #203 synchronize by ralf-meyer
February 20, 2024 02:27 35s more_ligand_fixes
more_ligand_fixes
February 20, 2024 02:27 35s
Merge pull request #202 from hjkgrp/rmsd Linter #724: Commit 56ab21b pushed by ralf-meyer
February 20, 2024 02:20 35s master
master
February 20, 2024 02:20 35s
Add minimal example for issue 127 Linter #723: Pull request #202 opened by ralf-meyer
February 20, 2024 02:15 32s rmsd
rmsd
February 20, 2024 02:15 32s
Updated get_geometry Linter #722: Pull request #200 synchronize by ralf-meyer
February 18, 2024 19:09 28s get_geometry_edits
get_geometry_edits
February 18, 2024 19:09 28s
Updated get_geometry Linter #721: Pull request #200 synchronize by ralf-meyer
February 18, 2024 18:53 34s get_geometry_edits
get_geometry_edits
February 18, 2024 18:53 34s
Updated get_geometry Linter #720: Pull request #200 synchronize by ralf-meyer
February 17, 2024 22:04 40s get_geometry_edits
get_geometry_edits
February 17, 2024 22:04 40s
Update rungen.py Linter #719: Pull request #184 synchronize by ralf-meyer
February 17, 2024 20:30 33s rolan701:master
rolan701:master
February 17, 2024 20:30 33s
Updated get_geometry Linter #718: Pull request #200 synchronize by ralf-meyer
February 16, 2024 19:39 41s get_geometry_edits
get_geometry_edits
February 16, 2024 19:39 41s
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