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Update ubuntu 22.04 dockerfile
Coverage #89: Commit 0a946bb pushed by dkoes
May 15, 2024 18:22 37m 49s master
May 15, 2024 18:22 37m 49s
Better behaved covalent min/scoring
Coverage #88: Commit 699c0fc pushed by dkoes
May 6, 2024 17:49 39m 28s master
May 6, 2024 17:49 39m 28s
refine warning
Coverage #87: Commit cef9693 pushed by dkoes
May 3, 2024 19:28 2h 7m 26s master
May 3, 2024 19:28 2h 7m 26s
tweak fix
Coverage #86: Commit 7464e51 pushed by dkoes
May 3, 2024 17:41 3h 16m 52s master
May 3, 2024 17:41 3h 16m 52s
Skip the numerical check
Coverage #85: Commit 43e0ba9 pushed by dkoes
May 3, 2024 17:30 2h 36m 51s master
May 3, 2024 17:30 2h 36m 51s
cmake foo
Coverage #84: Commit 1dd8ce9 pushed by dkoes
May 1, 2024 21:01 37m 12s master
May 1, 2024 21:01 37m 12s
all the torch libs!
Coverage #83: Commit 80513cf pushed by dkoes
April 29, 2024 21:09 1h 6m 28s master
April 29, 2024 21:09 1h 6m 28s
Add default1.0 option.
Coverage #82: Commit 20ad958 pushed by dkoes
April 24, 2024 21:01 46m 33s master
April 24, 2024 21:01 46m 33s
Need a newer version of cmake than what was checked.
Coverage #81: Commit 6ce607d pushed by dkoes
April 24, 2024 16:20 1h 4m 5s master
April 24, 2024 16:20 1h 4m 5s
New default models (in torch only) along with fast model shortcut.
Coverage #80: Commit d7f922b pushed by dkoes
April 23, 2024 21:28 45m 55s master
April 23, 2024 21:28 45m 55s
Coverage
Coverage #79: by dkoes
March 28, 2024 19:28 20m 25s master
March 28, 2024 19:28 20m 25s
more complete file list
Coverage #78: Commit 278b451 pushed by dkoes
March 28, 2024 18:32 23m 29s master
March 28, 2024 18:32 23m 29s
attempt to fix install
Coverage #77: Commit 625e1c3 pushed by dkoes
March 28, 2024 18:05 23m 10s master
March 28, 2024 18:05 23m 10s
update dockerfile
Coverage #76: Commit 836de57 pushed by dkoes
March 22, 2024 11:59 42m 33s master
March 22, 2024 11:59 42m 33s
Update README.md
Coverage #75: Commit 1082e64 pushed by dkoes
March 16, 2024 14:47 55m 1s master
March 16, 2024 14:47 55m 1s
No apt update in CI
Coverage #74: Commit ad53491 pushed by dkoes
March 10, 2024 18:11 1h 7m 48s master
March 10, 2024 18:11 1h 7m 48s
json include correct
Coverage #73: Commit 6526e95 pushed by dkoes
March 2, 2024 20:59 59m 33s master
March 2, 2024 20:59 59m 33s
add libmolgrid dep
Coverage #72: Commit a45e123 pushed by dkoes
March 2, 2024 20:01 20m 10s master
March 2, 2024 20:01 20m 10s
Update CI
Coverage #71: Commit c253dff pushed by dkoes
March 2, 2024 18:49 4m 11s master
March 2, 2024 18:49 4m 11s
100% tests passed
Coverage #70: Commit 54dcb73 pushed by dkoes
March 2, 2024 16:40 54s master
March 2, 2024 16:40 54s
Checkpoint gnina torch fixes.
Coverage #69: Commit 55d8c7b pushed by dkoes
March 1, 2024 22:46 11m 33s master
March 1, 2024 22:46 11m 33s
backprop
Coverage #68: Commit 007e45c pushed by dkoes
February 26, 2024 22:29 2m 5s master
February 26, 2024 22:29 2m 5s
Update dockerfile for cov
Coverage #67: Commit ce5333c pushed by dkoes
December 20, 2023 16:39 1h 3m 20s master
December 20, 2023 16:39 1h 3m 20s
Update README to reflect covalent docking
Coverage #66: Commit e4cb380 pushed by dkoes
December 18, 2023 19:46 1h 17m 47s master
December 18, 2023 19:46 1h 17m 47s
Covalent improvements
Coverage #65: Commit 617ee3b pushed by dkoes
November 21, 2023 16:21 1h 1m 22s master
November 21, 2023 16:21 1h 1m 22s