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adding exception handling to add small molecule forcefield to the sim… test #718: Commit 2757de6 pushed by Jgmedina95
July 8, 2024 19:56 2m 44s feature_solvent_forcefield_inclusion
feature_solvent_forcefield_inclusion
July 8, 2024 19:56 2m 44s
add test to get Hetcode test #717: Commit e5e816f pushed by Jgmedina95
July 8, 2024 17:49 3m 43s feature_het_code_in_pdb_from_smiles
feature_het_code_in_pdb_from_smiles
July 8, 2024 17:49 3m 43s
fixing _run methods in secondsary structure tools, and correct bugs i… test #716: Commit 6333298 pushed by Jgmedina95
July 3, 2024 14:47 3m 20s main
main
July 3, 2024 14:47 3m 20s
Update mdagent/tools/base_tools/analysis_tools/hydrogen_bonding_tools.py test #715: Commit 4dac3b3 pushed by brittyscience
July 3, 2024 14:31 3m 2s hydrogen_bonding
hydrogen_bonding
July 3, 2024 14:31 3m 2s
combining changes from Sams pr test #714: Commit c139f40 pushed by Jgmedina95
July 2, 2024 19:25 3m 6s bug-str-none-issue
bug-str-none-issue
July 2, 2024 19:25 3m 6s
correcting tests test #713: Commit 86ac0ae pushed by Jgmedina95
July 2, 2024 19:10 3m 9s bug-str-none-issue
bug-str-none-issue
July 2, 2024 19:10 3m 9s
correcting tests test #712: Commit bc9c3a3 pushed by Jgmedina95
July 2, 2024 19:04 3m 7s bug-str-none-issue
bug-str-none-issue
July 2, 2024 19:04 3m 7s
fixing _run methods in secondsary structure tools, and correct bugs i… test #711: Commit 2d52235 pushed by Jgmedina95
July 2, 2024 18:58 3m 16s bug-str-none-issue
bug-str-none-issue
July 2, 2024 18:58 3m 16s
exp22 test #710: Commit dbfb7f0 pushed by SamCox822
July 1, 2024 17:30 2m 41s samc_nb_runs
samc_nb_runs
July 1, 2024 17:30 2m 41s
adjusted tests for NA ss test #709: Commit 0f1cf8b pushed by SamCox822
June 30, 2024 04:13 2m 52s ss_bug_na
ss_bug_na
June 30, 2024 04:13 2m 52s
exp1 done test #708: Commit 118eb49 pushed by SamCox822
June 30, 2024 04:00 2m 56s samc_nb_runs
samc_nb_runs
June 30, 2024 04:00 2m 56s
tell agent about NA (non protein, non assigned) residues too test #707: Commit 79517dc pushed by SamCox822
June 30, 2024 03:59 3m 13s ss_bug_na
ss_bug_na
June 30, 2024 03:59 3m 13s
Merge branch 'main' into samc_nb_runs test #706: Commit 0f1bf7b pushed by SamCox822
June 30, 2024 03:41 3m 29s samc_nb_runs
samc_nb_runs
June 30, 2024 03:41 3m 29s
exp folder test #705: Commit 096b2fb pushed by SamCox822
June 30, 2024 03:40 3m 2s samc_nb_runs
samc_nb_runs
June 30, 2024 03:40 3m 2s
Improving rdf and cleaning tools (#146) test #704: Commit 22ab324 pushed by Jgmedina95
June 29, 2024 22:16 3m 0s main
main
June 29, 2024 22:16 3m 0s
merge main into branch & etc. test #703: Commit 4590bb4 pushed by SamCox822
June 29, 2024 21:16 3m 38s thermo-analyses
thermo-analyses
June 29, 2024 21:16 3m 38s
let agent provide forcefield test #702: Commit 5dbb624 pushed by SamCox822
June 29, 2024 21:11 3m 30s thermo-analyses
thermo-analyses
June 29, 2024 21:11 3m 30s
uniprot litle bug fix test #701: Commit 73d6fe6 pushed by SamCox822
June 29, 2024 20:33 3m 6s debuggin_rdf_tool_and_cleaning_tool
debuggin_rdf_tool_and_cleaning_tool
June 29, 2024 20:33 3m 6s
checking if top_fileid is none, as it is usually the optional part in… test #700: Commit 71faff1 pushed by SamCox822
June 29, 2024 20:17 3m 4s main
main
June 29, 2024 20:17 3m 4s
i forgot to actually push the format fix test #699: Commit 4ab42a3 pushed by SamCox822
June 29, 2024 20:15 3m 4s thermo-analyses
thermo-analyses
June 29, 2024 20:15 3m 4s
formatting and fixed overloaded var test #698: Commit 3522778 pushed by SamCox822
June 29, 2024 20:05 2m 40s thermo-analyses
thermo-analyses
June 29, 2024 20:05 2m 40s
formatting test #697: Commit fb9b382 pushed by SamCox822
June 29, 2024 20:02 3m 10s debuggin_rdf_tool_and_cleaning_tool
debuggin_rdf_tool_and_cleaning_tool
June 29, 2024 20:02 3m 10s
nest_asyncio in pqa test #696: Commit 1f002d0 pushed by SamCox822
June 29, 2024 19:54 2m 16s debuggin_rdf_tool_and_cleaning_tool
debuggin_rdf_tool_and_cleaning_tool
June 29, 2024 19:54 2m 16s
close plot in rgy test #695: Commit 0f0f6b2 pushed by SamCox822
June 29, 2024 19:51 3m 6s debuggin_rdf_tool_and_cleaning_tool
debuggin_rdf_tool_and_cleaning_tool
June 29, 2024 19:51 3m 6s
getting charges from traj using openmm test #694: Commit 632d0f5 pushed by SamCox822
June 29, 2024 19:49 2m 36s thermo-analyses
thermo-analyses
June 29, 2024 19:49 2m 36s
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