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Benchmarks routine and bench faster_surface command
Develop Build #213: Commit 198d4ea pushed by rdk
August 3, 2024 16:01 4m 24s develop
August 3, 2024 16:01 4m 24s
use faster-molecular-surface library to calculate SAS points
Develop Build #212: Commit 4a385cc pushed by rdk
August 3, 2024 11:56 4m 34s develop
August 3, 2024 11:56 4m 34s
update logging dependencies
Develop Build #211: Commit ca59d33 pushed by rdk
August 1, 2024 08:53 9m 49s develop
August 1, 2024 08:53 9m 49s
CI: add Java 22
Develop Build #210: Commit ca98adb pushed by rdk
August 1, 2024 07:35 4m 21s develop
August 1, 2024 07:35 4m 21s
update readme
Develop Build #209: Commit e5f2c10 pushed by rdk
June 29, 2024 09:00 4m 6s develop
June 29, 2024 09:00 4m 6s
update readme
Develop Build #208: Commit bc6be77 pushed by rdk
June 29, 2024 08:44 4m 26s develop
June 29, 2024 08:44 4m 26s
bump FasterForest to 2.5.1
Develop Build #207: Commit de9197e pushed by rdk
June 27, 2024 16:30 5m 0s develop
June 27, 2024 16:30 5m 0s
groovy isSameMetaClass optimization
Develop Build #206: Commit f23ab24 pushed by rdk
June 27, 2024 14:15 5m 29s develop
June 27, 2024 14:15 5m 29s
optimize imports
Develop Build #205: Commit 4f5f082 pushed by rdk
June 27, 2024 08:28 5m 6s develop
June 27, 2024 08:28 5m 6s
fix warnings in build.gradle, fix warnings in distro/prank
Develop Build #204: Commit efd666e pushed by rdk
June 27, 2024 08:17 3m 10s develop
June 27, 2024 08:17 3m 10s
update test config
Develop Build #203: Commit aafe210 pushed by rdk
June 26, 2024 20:39 4m 41s develop
June 26, 2024 20:39 4m 41s
CI: remove java 22 (still failing)
Develop Build #202: Commit 98c3282 pushed by rdk
June 26, 2024 09:46 4m 12s develop
June 26, 2024 09:46 4m 12s
re-enable random rotations
Develop Build #201: Commit 7766312 pushed by rdk
June 26, 2024 09:36 2m 50s develop
June 26, 2024 09:36 2m 50s
chmod check-dependencies.sh
Develop Build #200: Commit 202b884 pushed by rdk
June 26, 2024 08:01 4m 33s develop
June 26, 2024 08:01 4m 33s
fix rescore_2024.groovy config
Develop Build #199: Commit c4f5569 pushed by rdk
June 25, 2024 20:33 4m 5s develop
June 25, 2024 20:33 4m 5s
remove java 22 from CI
Develop Build #198: Commit 1f6dd69 pushed by rdk
June 25, 2024 13:18 4m 34s develop
June 25, 2024 13:18 4m 34s
temporarily disable rotations and bring back java 11 support
Develop Build #197: Commit afa71a3 pushed by rdk
June 25, 2024 13:04 1m 6s develop
June 25, 2024 13:04 1m 6s
update ci
Develop Build #196: Commit 56ca7fd pushed by rdk
June 20, 2024 09:26 4m 0s develop
June 20, 2024 09:26 4m 0s
update ci
Develop Build #195: Commit 22239f8 pushed by rdk
June 20, 2024 09:11 1m 41s develop
June 20, 2024 09:11 1m 41s
update ci
Develop Build #194: Commit 31cb303 pushed by rdk
June 20, 2024 08:51 1m 16s develop
June 20, 2024 08:51 1m 16s
update ci
Develop Build #193: Commit d7e9e61 pushed by rdk
June 20, 2024 07:50 1m 9s develop
June 20, 2024 07:50 1m 9s
temporarily disable test related to apo-holo datasets
Develop Build #192: Commit 4c271a0 pushed by rdk
June 20, 2024 07:30 1m 13s develop
June 20, 2024 07:30 1m 13s
bump dependencies
Develop Build #191: Commit 96a238a pushed by rdk
June 10, 2024 10:48 3m 59s develop
June 10, 2024 10:48 3m 59s
change version to 2.4.2-beta.1
Develop Build #190: Commit 7499580 pushed by rdk
April 12, 2024 08:09 6m 38s develop
April 12, 2024 08:09 6m 38s
fix discontinued chains 2
Develop Build #189: Commit ca5670f pushed by rdk
April 12, 2024 08:05 5m 6s develop
April 12, 2024 08:05 5m 6s