Skip to content

Actions: Acellera/moleculekit

Actions

Build docs

Actions

Loading...
Loading

Show workflow options

Create status badge

Loading
docs.yml
69 workflow runs
69 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

code for inverse collisions and added tests for it Build docs #83: Commit a612db7 pushed by stefdoerr
October 23, 2024 10:36 3m 49s 1.9.15
1.9.15
October 23, 2024 10:36 3m 49s
fixed test Build docs #82: Commit 817b689 pushed by stefdoerr
October 21, 2024 10:40 3m 54s 1.9.14
1.9.14
October 21, 2024 10:40 3m 54s
closes #140 Build docs #81: Commit c91deec pushed by stefdoerr
October 21, 2024 09:18 3m 28s 1.9.13
1.9.13
October 21, 2024 09:18 3m 28s
addBond was breaking the dtype of the bonds array. Fixed atomselect t… Build docs #80: Commit 5741976 pushed by stefdoerr
October 18, 2024 12:47 3m 22s 1.9.12
1.9.12
October 18, 2024 12:47 3m 22s
Map undefined bond types to single when writing CIF files since they … Build docs #79: Commit ba2e8c6 pushed by stefdoerr
October 11, 2024 13:19 3m 21s 1.9.11
1.9.11
October 11, 2024 13:19 3m 21s
Molecule.center now returns the translation vector. Fixed issue where… Build docs #78: Commit 7f11c45 pushed by stefdoerr
October 11, 2024 08:01 3m 18s 1.9.10
1.9.10
October 11, 2024 08:01 3m 18s
rdkit latest version is missing share folder on Windows Build docs #77: Commit 9aa0b27 pushed by stefdoerr
September 11, 2024 09:34 3m 5s 1.9.9
1.9.9
September 11, 2024 09:34 3m 5s
update tests for latest rdkit Build docs #76: Commit 48f0d8b pushed by stefdoerr
September 11, 2024 08:10 2m 48s 1.9.8
1.9.8
September 11, 2024 08:10 2m 48s
ignore Molecule serials when writing CIF files are renumber them Build docs #75: Commit 5748343 pushed by stefdoerr
September 11, 2024 06:54 2m 53s 1.9.7
1.9.7
September 11, 2024 06:54 2m 53s
fixes issue #137 Build docs #74: Commit 43ea4af pushed by stefdoerr
September 9, 2024 07:05 3m 4s 1.9.6
1.9.6
September 9, 2024 07:05 3m 4s
add option for reading also non-covalent bonds. mostly used for PDB c… Build docs #73: Commit fc66223 pushed by stefdoerr
July 17, 2024 12:31 3m 13s 1.9.5
1.9.5
July 17, 2024 12:31 3m 13s
more correct pdb caching Build docs #72: Commit 1c4c3f8 pushed by stefdoerr
July 12, 2024 07:30 2m 57s 1.9.4
1.9.4
July 12, 2024 07:30 2m 57s
fix msgpack dependency issue Build docs #71: Commit 4130a41 pushed by stefdoerr
July 11, 2024 14:06 2m 56s 1.9.3
1.9.3
July 11, 2024 14:06 2m 56s
wrong pypa image Build docs #70: Commit e4c2bdb pushed by stefdoerr
July 11, 2024 12:52 3m 0s 1.9.2
1.9.2
July 11, 2024 12:52 3m 0s
msgpack from anaconda. GH actions checkout move to v4. New manylinux … Build docs #69: Commit 2287ce2 pushed by stefdoerr
July 11, 2024 11:19 2m 57s 1.9.1
1.9.1
July 11, 2024 11:19 2m 57s
lwoer mmtf Build docs #68: Commit 3db53ca pushed by stefdoerr
July 11, 2024 10:43 2m 57s 1.9.0
1.9.0
July 11, 2024 10:43 2m 57s
don't pull PDBs from RCSB in writer tests Build docs #67: Commit 8047ecf pushed by stefdoerr
July 9, 2024 13:48 3m 5s 1.8.38
1.8.38
July 9, 2024 13:48 3m 5s
added some comments to CIF reader for posteriority Build docs #66: Commit 74fc804 pushed by stefdoerr
July 9, 2024 12:58 3m 0s 1.8.37
1.8.37
July 9, 2024 12:58 3m 0s
added function to Molecule for getting the geometric center or center… Build docs #65: Commit 20bd2df pushed by stefdoerr
July 2, 2024 13:13 3m 9s 1.8.36
1.8.36
July 2, 2024 13:13 3m 9s
try with older windows Build docs #64: Commit dcfdba2 pushed by stefdoerr
June 25, 2024 15:43 2m 50s 1.8.35
1.8.35
June 25, 2024 15:43 2m 50s
fix for GitHub actions crashes with missing directories and PDB ID mo… Build docs #63: Commit 5073165 pushed by stefdoerr
June 17, 2024 09:29 2m 56s 1.8.34
1.8.34
June 17, 2024 09:29 2m 56s
tng format no longer supported by mdtraj Build docs #62: Commit a9ce3c5 pushed by stefdoerr
June 4, 2024 13:53 2m 43s 1.8.33
1.8.33
June 4, 2024 13:53 2m 43s
build also for OSX arm64 processors Build docs #61: Commit e811b01 pushed by stefdoerr
May 10, 2024 08:28 2m 51s 1.8.32
1.8.32
May 10, 2024 08:28 2m 51s
delayed all imports Build docs #60: Commit 6e0f728 pushed by stefdoerr
April 19, 2024 09:41 2m 45s 1.8.31
1.8.31
April 19, 2024 09:41 2m 45s
added SmallMol wrapper for CDPKit Build docs #59: Commit 879bde5 pushed by stefdoerr
April 19, 2024 08:59 2m 57s 1.8.30
1.8.30
April 19, 2024 08:59 2m 57s