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add submodule Build #82: Commit e9ff58b pushed by minhuanli
April 18, 2024 00:46 3m 6s master
master
April 18, 2024 00:46 3m 6s
support non-solvent in the batch calculation Build #81: Commit cfa3fea pushed by minhuanli
April 17, 2024 16:24 3m 18s master
master
April 17, 2024 16:24 3m 18s
Merge branch 'master' of https://github.com/Hekstra-Lab/SFcalculator_… Build #80: Commit d7ae427 pushed by minhuanli
April 17, 2024 01:20 3m 8s master
master
April 17, 2024 01:20 3m 8s
more tolerance in the cell isomorphism check Build #79: Commit ba56529 pushed by minhuanli
April 17, 2024 01:15 3m 11s master
master
April 17, 2024 01:15 3m 11s
add a placeholder for Fmask after Fprotein calculation, in case you w… Build #78: Commit 7a645bf pushed by minhuanli
April 4, 2024 16:16 3m 5s master
master
April 4, 2024 16:16 3m 5s
Build Build #77: by minhuanli
April 1, 2024 19:18 3m 13s master
master
April 1, 2024 19:18 3m 13s
handle case where no sapce group record in PDB file Build #76: Commit 0cea477 pushed by minhuanli
March 22, 2024 16:40 17m 53s master
master
March 22, 2024 16:40 17m 53s
implement a function to fetch from pdbredo Build #75: Commit 2a0da7b pushed by minhuanli
March 12, 2024 14:34 3m 14s master
master
March 12, 2024 14:34 3m 14s
debug Build #74: Commit 938d20f pushed by minhuanli
March 6, 2024 08:15 3m 17s master
master
March 6, 2024 08:15 3m 17s
support mmcif file Build #73: Commit 85fcf83 pushed by minhuanli
March 6, 2024 07:55 3m 24s master
master
March 6, 2024 07:55 3m 24s
v0.2.1 Publish to PyPI #9: Release v0.2.1 published by minhuanli
February 4, 2024 10:11 29s
February 4, 2024 10:11 29s
Update VERSION Build #72: Commit 5acb8c1 pushed by minhuanli
February 4, 2024 10:08 3m 5s master
master
February 4, 2024 10:08 3m 5s
Include nonpositive Foi nto outliers, to prevent numerical issue Build #71: Commit c9b8159 pushed by minhuanli
January 16, 2024 14:22 3m 4s master
master
January 16, 2024 14:22 3m 4s
Treat all elements as working set when no free flag column is provided Build #70: Commit a6a4c27 pushed by minhuanli
January 16, 2024 12:22 3m 14s master
master
January 16, 2024 12:22 3m 14s
fix the non-leaf tensor issue in get_scales Build #69: Commit d3411f2 pushed by minhuanli
January 13, 2024 12:22 3m 7s master
master
January 13, 2024 12:22 3m 7s
sequence property in PDBparser Build #68: Commit 6bd68f7 pushed by minhuanli
November 14, 2023 14:53 3m 23s master
master
November 14, 2023 14:53 3m 23s
v0.2.0 Publish to PyPI #8: Release v0.2.0 published by minhuanli
November 13, 2023 22:59 30s
November 13, 2023 22:59 30s
bump a major version to 0.2.0 Build #67: Commit 7a46151 pushed by minhuanli
November 13, 2023 22:47 4m 39s master
master
November 13, 2023 22:47 4m 39s
import future annotations for 3.8 and 3.9 Build #66: Commit 12d35a3 pushed by minhuanli
November 12, 2023 23:19 3m 36s master
master
November 12, 2023 23:19 3m 36s
better typing hints, support multiple input constructor, better modul… Build #65: Commit 8718add pushed by minhuanli
November 12, 2023 23:06 4m 56s master
master
November 12, 2023 23:06 4m 56s
v0.1.10 Publish to PyPI #7: Release v0.1.10 published by minhuanli
October 25, 2023 17:46 34s
October 25, 2023 17:46 34s
update Build test Build #64: Commit 01ef85d pushed by minhuanli
October 25, 2023 17:33 4m 9s master
master
October 25, 2023 17:33 4m 9s
bump to 0.1.10 Build #63: Commit 0465d5d pushed by minhuanli
October 25, 2023 17:28 1m 58s master
master
October 25, 2023 17:28 1m 58s
fix the multi device bug, urgent Build #62: Commit fc6f1a0 pushed by minhuanli
October 23, 2023 19:11 5m 17s master
master
October 23, 2023 19:11 5m 17s
v0.1.9 Publish to PyPI #6: Release v0.1.9 published by minhuanli
October 19, 2023 21:42 34s
October 19, 2023 21:42 34s