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特定の残基に対して、構造の重ね合わせとRMSDの計算をし、res_rmsd.datに書き込むようにしました unittest #93: Commit 0299617 pushed by Ell112a
June 5, 2024 10:42 3m 1s mps
mps
June 5, 2024 10:42 3m 1s
atom id list can be obtained from parmed system object unittest #92: Commit b79adca pushed by keisuke-yanagisawa
May 29, 2024 03:42 3m 2s main
main
May 29, 2024 03:42 3m 2s
GPUtil.pyの判定を変更、nvidia-cuda-mps-serverが立ち上がらない場合はErrorとしました unittest #91: Commit ddf1c5b pushed by Ell112a
May 29, 2024 02:24 3m 7s mps
mps
May 29, 2024 02:24 3m 7s
GPUtil.pyを一部修正 unittest #90: Commit a986169 pushed by Ell112a
May 29, 2024 01:35 3m 9s mps
mps
May 29, 2024 01:35 3m 9s
nvidia-cuda-mps-serverが立ち上がっていてもRuntimeWarningが出る可能性があります unittest #89: Commit 032f369 pushed by Ell112a
May 29, 2024 01:25 3m 5s mps
mps
May 29, 2024 01:25 3m 5s
bug fix unittest #88: Commit 94706a5 pushed by keisuke-yanagisawa
May 17, 2024 07:56 3m 2s v1.2.1
v1.2.1
May 17, 2024 07:56 3m 2s
bug fix unittest #87: Commit 94706a5 pushed by keisuke-yanagisawa
May 17, 2024 07:56 3m 8s main
main
May 17, 2024 07:56 3m 8s
Merge pull request #35 from keisuke-yanagisawa/mps unittest #86: Commit a104fb2 pushed by keisuke-yanagisawa
May 17, 2024 07:16 3m 7s v1.2
v1.2
May 17, 2024 07:16 3m 7s
Merge pull request #35 from keisuke-yanagisawa/mps unittest #85: Commit a104fb2 pushed by keisuke-yanagisawa
May 17, 2024 07:12 3m 17s main
main
May 17, 2024 07:12 3m 17s
change expect data (probably) because of ambertools version change unittest #84: Commit 4f5f248 pushed by keisuke-yanagisawa
May 3, 2024 21:38 3m 20s main
main
May 3, 2024 21:38 3m 20s
rename variable unittest #83: Commit d42b03b pushed by keisuke-yanagisawa
May 3, 2024 21:28 3m 15s mps
mps
May 3, 2024 21:28 3m 15s
細かな修正を加えました unittest #82: Commit a012c32 pushed by Ell112a
May 2, 2024 00:09 3m 5s mps
mps
May 2, 2024 00:09 3m 5s
mpsの実装を修正しました。 unittest #81: Commit 268b9ca pushed by Ell112a
May 1, 2024 03:56 3m 25s mps
mps
May 1, 2024 03:56 3m 25s
このcommitはexprorer_msmdでmpsを実装するためのものです。 unittest #80: Commit ac01c5c pushed by Ell112a
April 30, 2024 08:06 3m 2s mps
mps
April 30, 2024 08:06 3m 2s
このcommitはexprorer_msmdでmpsを実装するためのものです。 unittest #79: Commit d9bfd3f pushed by Ell112a
April 30, 2024 07:31 3m 26s mps
mps
April 30, 2024 07:31 3m 26s
fix Dockerfile unittest #78: Commit 6ba940f pushed by keisuke-yanagisawa
April 2, 2024 11:00 3m 2s v1.1.7
v1.1.7
April 2, 2024 11:00 3m 2s
fix Dockerfile unittest #77: Commit 6ba940f pushed by keisuke-yanagisawa
April 2, 2024 10:59 3m 15s main
main
April 2, 2024 10:59 3m 15s
fix Dockerfile unittest #76: Commit 6ba940f pushed by keisuke-yanagisawa
February 17, 2024 08:00 3m 16s update_gromacs
update_gromacs
February 17, 2024 08:00 3m 16s
add pytest for CI unittest #75: Commit f068611 pushed by keisuke-yanagisawa
February 17, 2024 07:54 2m 15s update_gromacs
update_gromacs
February 17, 2024 07:54 2m 15s
update dockerhub tag unittest #74: Commit 5ca0f5a pushed by keisuke-yanagisawa
February 13, 2024 06:46 2m 29s update_gromacs
update_gromacs
February 13, 2024 06:46 2m 29s
update gromacs version with cuda version unittest #73: Commit c1dfb76 pushed by keisuke-yanagisawa
February 13, 2024 02:12 2m 32s update_gromacs
update_gromacs
February 13, 2024 02:12 2m 32s
fix bug: use absolute path unittest #72: Commit 879c053 pushed by keisuke-yanagisawa
November 4, 2023 11:09 2m 27s v1.1.6.1
v1.1.6.1
November 4, 2023 11:09 2m 27s
fix bug: use absolute path unittest #71: Commit 879c053 pushed by keisuke-yanagisawa
November 4, 2023 11:08 2m 41s main
main
November 4, 2023 11:08 2m 41s
Merge remote-tracking branch 'origin/develop' into develop unittest #70: Commit 86a13f9 pushed by keisuke-yanagisawa
November 4, 2023 10:50 2m 33s main
main
November 4, 2023 10:50 2m 33s
unittest unittest #69: by keisuke-yanagisawa
November 4, 2023 10:49 3m 24s v1.1.6
v1.1.6
November 4, 2023 10:49 3m 24s