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updated example nb
test #376: Commit cf9d6e9 pushed by qcampbel
March 6, 2024 14:37 4m 8s auto_eval
March 6, 2024 14:37 4m 8s
add example and fix eval format
test #375: Commit 61c0802 pushed by qcampbel
March 6, 2024 13:04 4m 28s auto_eval
March 6, 2024 13:04 4m 28s
move notebooks to correct location
test #374: Commit ca3659a pushed by qcampbel
March 6, 2024 12:15 5m 4s test_rmsd
March 6, 2024 12:15 5m 4s
include agent settings in eval
test #373: Commit 5a14d07 pushed by qcampbel
March 6, 2024 12:08 4m 19s auto_eval
March 6, 2024 12:08 4m 19s
merge main into test_rmsd
test #372: Commit 5d8990e pushed by qcampbel
March 6, 2024 11:53 4m 30s test_rmsd
March 6, 2024 11:53 4m 30s
initial packmol tests
test #371: Commit 2fbf3da pushed by SamCox822
March 6, 2024 05:51 4m 51s packmol-tests
March 6, 2024 05:51 4m 51s
setting up packmol tests
test #370: Commit a3436bd pushed by SamCox822
March 6, 2024 05:47 4m 28s packmol-tests
March 6, 2024 05:47 4m 28s
cleaning tests added
test #369: Commit 2529886 pushed by SamCox822
March 6, 2024 05:27 5m 11s clean-tools-tests
March 6, 2024 05:27 5m 11s
test process params
test #368: Commit e630d90 pushed by SamCox822
March 6, 2024 05:15 4m 26s preprocess-tests
March 6, 2024 05:15 4m 26s
parse cutoff test
test #367: Commit 005fb60 pushed by SamCox822
March 6, 2024 04:55 4m 57s preprocess-tests
March 6, 2024 04:55 4m 57s
Writing script unit tests were missing (#99)
test #366: Commit 8645e70 pushed by SamCox822
March 6, 2024 04:36 4m 40s main
March 6, 2024 04:36 4m 40s
rearranged tests to subfiles (#100)
test #365: Commit 657bd91 pushed by SamCox822
March 6, 2024 04:35 4m 24s main
March 6, 2024 04:35 4m 24s
add eval for each step
test #364: Commit 0ed8b85 pushed by qcampbel
March 4, 2024 23:35 4m 19s auto_eval
March 4, 2024 23:35 4m 19s
adding notebook
test #363: Commit 5a8950e pushed by Jgmedina95
March 4, 2024 18:58 4m 53s feature-rdftool
March 4, 2024 18:58 4m 53s
adding compacted results for rdf
test #362: Commit 18fdc2b pushed by Jgmedina95
March 4, 2024 18:57 4m 27s feature-rdftool
March 4, 2024 18:57 4m 27s
typo
test #361: Commit df1dcbf pushed by Jgmedina95
March 1, 2024 21:24 4m 20s UnitTestsJ
March 1, 2024 21:24 4m 20s
Update pdb_get.py
test #360: Commit 8eb93f0 pushed by Jgmedina95
March 1, 2024 21:17 4m 42s UnitTestsJ
March 1, 2024 21:17 4m 42s
March 1, 2024 04:13 4m 21s
added clear skills
test #356: Commit 98842bc pushed by SamCox822
February 29, 2024 01:10 4m 41s clear-mem
February 29, 2024 01:10 4m 41s
added function to clean up after tests
test #355: Commit ac0cdb5 pushed by SamCox822
February 28, 2024 23:33 4m 30s clear-mem
February 28, 2024 23:33 4m 30s
function to clear ckpts
test #354: Commit a8a29d7 pushed by SamCox822
February 28, 2024 22:23 5m 3s clear-mem
February 28, 2024 22:23 5m 3s
rearranged tests to subfiles
test #353: Commit abf8bcf pushed by SamCox822
February 28, 2024 22:12 4m 30s moving-tests
February 28, 2024 22:12 4m 30s
added alternative test for script creation
test #352: Commit 3c4f258 pushed by SamCox822
February 28, 2024 20:24 5m 57s writing-script
February 28, 2024 20:24 5m 57s
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