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idk what i did tbh test #326: Commit ff0bcb8 pushed by SamCox822
February 22, 2024 22:21 3m 23s pqa_tool
pqa_tool
February 22, 2024 22:21 3m 23s
Merge branch 'main' of github.com:ur-whitelab/md-agent into r_gyration test #325: Commit 745db74 pushed by SamCox822
February 22, 2024 22:07 3m 46s r_gyration
r_gyration
February 22, 2024 22:07 3m 46s
fixed unit test for file_path test #324: Commit e05111c pushed by SamCox822
February 22, 2024 22:03 3m 15s pqa_tool
pqa_tool
February 22, 2024 22:03 3m 15s
initial rmsd results test #323: Commit 853846e pushed by qcampbel
February 22, 2024 21:41 13m 55s test_rmsd
test_rmsd
February 22, 2024 21:41 13m 55s
fixed tests with new file_path function & unit test test #322: Commit 40761c4 pushed by SamCox822
February 22, 2024 21:29 3m 35s pqa_tool
pqa_tool
February 22, 2024 21:29 3m 35s
deleted extra test file test #321: Commit 3e5dacc pushed by SamCox822
February 22, 2024 21:04 3m 8s pqa_tool
pqa_tool
February 22, 2024 21:04 3m 8s
adjusted tests test #320: Commit c62153a pushed by SamCox822
February 22, 2024 01:51 3m 2s pqa_tool
pqa_tool
February 22, 2024 01:51 3m 2s
updated most files, still need tests and setup test #319: Commit 68a1654 pushed by SamCox822
February 22, 2024 01:46 24s ckpt
ckpt
February 22, 2024 01:46 24s
added ckpt_dir to mdagent agent test #318: Commit 6c17f5b pushed by SamCox822
February 22, 2024 00:08 3m 0s ckpt
ckpt
February 22, 2024 00:08 3m 0s
ckpt handler test #317: Commit f9a1439 pushed by SamCox822
February 21, 2024 23:46 3m 8s ckpt
ckpt
February 21, 2024 23:46 3m 8s
moved openmm and mdanalysis to pip installs test #316: Commit 57bc29a pushed by SamCox822
February 21, 2024 23:22 3m 20s pqa_tool
pqa_tool
February 21, 2024 23:22 3m 20s
added notebook for testing lit search test #315: Commit 00eacea pushed by SamCox822
February 21, 2024 23:21 29s pqa_tool
pqa_tool
February 21, 2024 23:21 29s
few updates to lit search tool test #314: Commit dfac744 pushed by SamCox822
February 21, 2024 22:45 3m 8s pqa_tool
pqa_tool
February 21, 2024 22:45 3m 8s
added pqa literature search tool test #313: Commit f73a662 pushed by SamCox822
February 21, 2024 22:29 3m 10s pqa_tool
pqa_tool
February 21, 2024 22:29 3m 10s
Learn flag (#85) test #312: Commit 456e012 pushed by SamCox822
February 21, 2024 20:31 3m 11s main
main
February 21, 2024 20:31 3m 11s
precommit test #311: Commit 0f2b2b0 pushed by SamCox822
February 21, 2024 20:23 3m 18s learn_flag
learn_flag
February 21, 2024 20:23 3m 18s
Bug records (#90) test #310: Commit 4498a76 pushed by Jgmedina95
February 21, 2024 19:01 3m 30s main
main
February 21, 2024 19:01 3m 30s
if not resume - clear mem test #309: Commit 64ef976 pushed by SamCox822
February 21, 2024 17:32 3m 16s init_wo_resume
init_wo_resume
February 21, 2024 17:32 3m 16s
clear mem test #308: Commit 53cf36b pushed by SamCox822
February 21, 2024 17:29 3m 12s init_wo_resume
init_wo_resume
February 21, 2024 17:29 3m 12s
change location where records are mapped in setup and run, and improv… test #307: Commit 726636f pushed by Jgmedina95
February 21, 2024 17:00 3m 18s bug-records-id
bug-records-id
February 21, 2024 17:00 3m 18s
add mdtraj to install requirements test #306: Commit e182937 pushed by Jgmedina95
February 20, 2024 20:24 4m 35s feature-rdftool
feature-rdftool
February 20, 2024 20:24 4m 35s
make sure the plot name is not repeated test #305: Commit 6fb06b5 pushed by Jgmedina95
February 20, 2024 20:15 3m 4s feature-rdftool
feature-rdftool
February 20, 2024 20:15 3m 4s
checking if the input of the tool comes as action_input first. improv… test #304: Commit a4012ef pushed by Jgmedina95
February 20, 2024 20:08 2m 57s feature-rdftool
feature-rdftool
February 20, 2024 20:08 2m 57s
removing different branch additions, non-related to the bug test #303: Commit 75b187e pushed by Jgmedina95
February 20, 2024 19:00 3m 31s bug-records-id
bug-records-id
February 20, 2024 19:00 3m 31s
fixing bug that made two record files or simulation files get the sam… test #302: Commit 2904fe7 pushed by Jgmedina95
February 20, 2024 18:51 3m 17s bug-records-id
bug-records-id
February 20, 2024 18:51 3m 17s
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