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changed docstring to single quotes test #276: Commit 678f8c0 pushed by SamCox822
February 5, 2024 18:10 3m 10s rdkit_pdb
rdkit_pdb
February 5, 2024 18:10 3m 10s
added streamlit app with ability to upload files (#74) test #275: Commit ba4fc9c pushed by SamCox822
February 5, 2024 17:51 3m 15s main
main
February 5, 2024 17:51 3m 15s
Update st_app.py test #274: Commit 0a33bba pushed by SamCox822
February 5, 2024 17:45 3m 29s streamlit
streamlit
February 5, 2024 17:45 3m 29s
typo test #273: Commit 01ccfd5 pushed by brittyscience
February 2, 2024 02:15 3m 6s streamlit
streamlit
February 2, 2024 02:15 3m 6s
Bug at naming clean files (CleanPDB tool). It was taking the whole fi… test #272: Commit 72fb134 pushed by Jgmedina95
February 1, 2024 18:45 2m 50s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
February 1, 2024 18:45 2m 50s
typo in setup run test #271: Commit e1ab64c pushed by SamCox822
February 1, 2024 18:15 3m 8s streamlit
streamlit
February 1, 2024 18:15 3m 8s
test to ensure single download only test #270: Commit 66204f4 pushed by SamCox822
January 31, 2024 23:32 3m 33s rdkit_pdb
rdkit_pdb
January 31, 2024 23:32 3m 33s
moved element list to its own file test #269: Commit 26000bb pushed by SamCox822
January 31, 2024 22:12 2m 55s move_files
move_files
January 31, 2024 22:12 2m 55s
trying to use rdkit for small mol pdb test #268: Commit ee12619 pushed by SamCox822
January 31, 2024 22:03 3m 0s rdkit_pdb
rdkit_pdb
January 31, 2024 22:03 3m 0s
fix bug with get_mapped_path(name=...), the name arg is incorrect, no… test #267: Commit f2cda4f pushed by Jgmedina95
January 31, 2024 18:42 3m 3s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 31, 2024 18:42 3m 3s
fixing bug in cleaning tools and filename retrieval test #266: Commit a710acc pushed by Jgmedina95
January 31, 2024 18:39 3m 8s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 31, 2024 18:39 3m 8s
debug file naming, typos and printing statements test #265: Commit 2f0224d pushed by Jgmedina95
January 30, 2024 16:33 2m 56s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 30, 2024 16:33 2m 56s
Move the packed pdb files to the files/pdb directory, with a better n… test #264: Commit d2358ac pushed by Jgmedina95
January 30, 2024 16:13 3m 1s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 30, 2024 16:13 3m 1s
added some streamlit logging test #263: Commit e140360 pushed by SamCox822
January 29, 2024 20:42 3m 16s streamlit
streamlit
January 29, 2024 20:42 3m 16s
added streamlit instructions to readme test #262: Commit 4fc06b0 pushed by SamCox822
January 29, 2024 20:41 2m 57s streamlit
streamlit
January 29, 2024 20:41 2m 57s
added streamlit app with ability to upload files test #261: Commit 9901476 pushed by SamCox822
January 29, 2024 20:21 3m 19s streamlit
streamlit
January 29, 2024 20:21 3m 19s
I also added the name parameter in the path_registry. tests changed a… test #260: Commit 13dc325 pushed by Jgmedina95
January 29, 2024 19:14 3m 14s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 29, 2024 19:14 3m 14s
add test for autoinitialization of the path_registry with a file alre… test #259: Commit 0770f9a pushed by Jgmedina95
January 29, 2024 19:07 2m 44s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 29, 2024 19:07 2m 44s
Fixing packmol: 1. Moving the input validator inside the tool. 2. Pac… test #258: Commit a127e4b pushed by Jgmedina95
January 29, 2024 18:52 2m 56s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 29, 2024 18:52 2m 56s
Debugging Prior to Eval (#67) test #257: Commit 60bb0e6 pushed by Jgmedina95
January 29, 2024 14:37 2m 54s 72-lack-of-solvents-for-packmol-tool
72-lack-of-solvents-for-packmol-tool
January 29, 2024 14:37 2m 54s
Debugging Prior to Eval (#67) test #256: Commit 60bb0e6 pushed by Jgmedina95
January 25, 2024 02:08 2m 58s main
main
January 25, 2024 02:08 2m 58s
minor bug fix test #255: Commit 7397596 pushed by qcampbel
January 24, 2024 19:44 3m 3s test_sim
test_sim
January 24, 2024 19:44 3m 3s
make curriculum optional (temp) test #254: Commit 42ce120 pushed by qcampbel
January 24, 2024 19:35 2m 56s test_sim
test_sim
January 24, 2024 19:35 2m 56s
bring back tool retrieval (#63) test #253: Commit f9939b2 pushed by qcampbel
January 24, 2024 19:33 2m 54s test_sim
test_sim
January 24, 2024 19:33 2m 54s
Changing final to save parameter inside setup and run function test #252: Commit f9b19c8 pushed by Jgmedina95
January 24, 2024 18:56 3m 11s inputsinModifySimulationTool
inputsinModifySimulationTool
January 24, 2024 18:56 3m 11s