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Add scan chiral inversion method; add sidechain modelling to relaxati…
.github/workflows/draft-pdf.yml #217: Commit 23949d3 pushed by ryankzhu
October 8, 2024 11:47 1m 0s dev
dev
October 8, 2024 11:47 1m 0s
dev
October 8, 2024 11:47 4m 30s
Merge pull request #25 from Degiacomi-Lab/small_fixes
.github/workflows/draft-pdf.yml #216: Commit 7968cfc pushed by degiacom
September 20, 2024 18:40 59s master
September 20, 2024 18:40 59s
Merge pull request #25 from Degiacomi-Lab/small_fixes
Tests #28: Commit 7968cfc pushed by degiacom
September 20, 2024 18:40 4m 35s master
September 20, 2024 18:40 4m 35s
update README, fix data reading, add own index numpy
.github/workflows/draft-pdf.yml #215: Commit 567b70e pushed by gwirn
September 20, 2024 17:45 1m 5s small_fixes
September 20, 2024 17:45 1m 5s
update README, fix data reading, add own index numpy
Tests #27: Commit 567b70e pushed by gwirn
September 20, 2024 17:45 4m 35s small_fixes
September 20, 2024 17:45 4m 35s
Update draft-pdf.yml
.github/workflows/draft-pdf.yml #214: Commit beea1cc pushed by degiacom
September 13, 2024 12:43 1m 8s master
September 13, 2024 12:43 1m 8s
Update draft-pdf.yml
Tests #26: Commit beea1cc pushed by degiacom
September 13, 2024 12:43 4m 27s master
September 13, 2024 12:43 4m 27s
Update README.md
.github/workflows/draft-pdf.yml #213: Commit f3b3ecd pushed by degiacom
September 13, 2024 12:37 14s master
September 13, 2024 12:37 14s
Update README.md
Tests #25: Commit f3b3ecd pushed by degiacom
September 13, 2024 12:37 4m 26s master
September 13, 2024 12:37 4m 26s
Merge pull request #24 from Degiacomi-Lab/path_gen_example
Tests #24: Commit 745d456 pushed by degiacom
September 13, 2024 12:34 4m 37s master
September 13, 2024 12:34 4m 37s
Merge pull request #24 from Degiacomi-Lab/path_gen_example
.github/workflows/draft-pdf.yml #212: Commit 745d456 pushed by degiacom
September 13, 2024 12:34 10s master
September 13, 2024 12:34 10s
added example to generate structures along path
Tests #23: Commit 5416f45 pushed by gwirn
September 13, 2024 12:12 4m 35s path_gen_example
September 13, 2024 12:12 4m 35s
added example to generate structures along path
.github/workflows/draft-pdf.yml #211: Commit 5416f45 pushed by gwirn
September 13, 2024 12:12 11s path_gen_example
September 13, 2024 12:12 11s
Merge pull request #16 from SCMusson/feat_implicit
.github/workflows/draft-pdf.yml #210: Commit 141f629 pushed by degiacom
September 6, 2024 00:23 1m 0s master
September 6, 2024 00:23 1m 0s
Merge pull request #16 from SCMusson/feat_implicit
Tests #22: Commit 141f629 pushed by degiacom
September 6, 2024 00:23 4m 21s master
September 6, 2024 00:23 4m 21s
Merge pull request #23 from Degiacomi-Lab/pdb_file
Tests #21: Commit 0f6d033 pushed by degiacom
September 6, 2024 00:21 4m 20s master
September 6, 2024 00:21 4m 20s
Merge pull request #23 from Degiacomi-Lab/pdb_file
.github/workflows/draft-pdf.yml #209: Commit 0f6d033 pushed by degiacom
September 6, 2024 00:21 1m 2s master
September 6, 2024 00:21 1m 2s
fix grid coordinate selection
.github/workflows/draft-pdf.yml #208: Commit 90c5eba pushed by gwirn
September 2, 2024 12:18 1m 1s pdb_file
September 2, 2024 12:18 1m 1s
fix grid coordinate selection
Tests #20: Commit 90c5eba pushed by gwirn
September 2, 2024 12:18 5m 37s pdb_file
September 2, 2024 12:18 5m 37s
adding ability to generate and relax pdb files
.github/workflows/draft-pdf.yml #207: Commit f6bcd55 pushed by gwirn
September 2, 2024 08:57 1m 2s pdb_file
September 2, 2024 08:57 1m 2s
adding ability to generate and relax pdb files
Tests #19: Commit f6bcd55 pushed by gwirn
September 2, 2024 08:57 4m 22s pdb_file
September 2, 2024 08:57 4m 22s
Merge pull request #22 from Degiacomi-Lab/own_idx
.github/workflows/draft-pdf.yml #206: Commit 892d0b5 pushed by degiacom
August 26, 2024 15:35 1m 26s master
August 26, 2024 15:35 1m 26s
Merge pull request #22 from Degiacomi-Lab/own_idx
Tests #18: Commit 892d0b5 pushed by degiacom
August 26, 2024 15:35 19m 4s master
August 26, 2024 15:35 19m 4s
adding ability to create new trajectory based on own frame index file
.github/workflows/draft-pdf.yml #205: Commit 71dbbbb pushed by gwirn
August 26, 2024 09:31 1m 0s own_idx
August 26, 2024 09:31 1m 0s