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Add scan chiral inversion method; add sidechain modelling to relaxati… Tests #29: Commit 23949d3 pushed by ryankzhu
October 8, 2024 11:47 4m 30s dev
dev
October 8, 2024 11:47 4m 30s
Merge pull request #25 from Degiacomi-Lab/small_fixes Tests #28: Commit 7968cfc pushed by degiacom
September 20, 2024 18:40 4m 35s master
master
September 20, 2024 18:40 4m 35s
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
small_fixes
September 20, 2024 17:45 4m 35s
Update draft-pdf.yml Tests #26: Commit beea1cc pushed by degiacom
September 13, 2024 12:43 4m 27s master
master
September 13, 2024 12:43 4m 27s
Update README.md Tests #25: Commit f3b3ecd pushed by degiacom
September 13, 2024 12:37 4m 26s master
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
master
September 13, 2024 12:34 4m 37s
added example to generate structures along path Tests #23: Commit 5416f45 pushed by gwirn
September 13, 2024 12:12 4m 35s path_gen_example
path_gen_example
September 13, 2024 12:12 4m 35s
Merge pull request #16 from SCMusson/feat_implicit Tests #22: Commit 141f629 pushed by degiacom
September 6, 2024 00:23 4m 21s master
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
master
September 6, 2024 00:21 4m 20s
fix grid coordinate selection Tests #20: Commit 90c5eba pushed by gwirn
September 2, 2024 12:18 5m 37s pdb_file
pdb_file
September 2, 2024 12:18 5m 37s
adding ability to generate and relax pdb files Tests #19: Commit f6bcd55 pushed by gwirn
September 2, 2024 08:57 4m 22s pdb_file
pdb_file
September 2, 2024 08:57 4m 22s
Merge pull request #22 from Degiacomi-Lab/own_idx Tests #18: Commit 892d0b5 pushed by degiacom
August 26, 2024 15:35 19m 4s master
master
August 26, 2024 15:35 19m 4s
adding ability to create new trajectory based on own frame index file Tests #17: Commit 71dbbbb pushed by gwirn
August 26, 2024 09:31 4m 13s own_idx
own_idx
August 26, 2024 09:31 4m 13s
added annotations Tests #16: Commit 05a399b pushed by gwirn
August 6, 2024 10:15 4m 16s transformer
transformer
August 6, 2024 10:15 4m 16s
added description Tests #15: Commit ad6baec pushed by gwirn
August 6, 2024 10:07 3m 6s transformer
transformer
August 6, 2024 10:07 3m 6s
add description Tests #14: Commit 7670074 pushed by gwirn
August 1, 2024 10:35 4m 15s contactmaps
contactmaps
August 1, 2024 10:35 4m 15s
added description Tests #13: Commit 2326df9 pushed by gwirn
July 31, 2024 12:00 4m 26s padding
padding
July 31, 2024 12:00 4m 26s
Merge pull request #21 from Degiacomi-Lab/prepare_fix Tests #12: Commit 6754592 pushed by degiacom
June 27, 2024 14:07 5m 0s master
master
June 27, 2024 14:07 5m 0s
added ability to align on subset of atoms Tests #11: Commit 28aff03 pushed by gwirn
June 27, 2024 10:23 4m 41s prepare_fix
prepare_fix
June 27, 2024 10:23 4m 41s
added flag to save json log file and improved trajectory preparation Tests #10: Commit cd6f347 pushed by gwirn
June 26, 2024 09:08 4m 18s prepare_fix
prepare_fix
June 26, 2024 09:08 4m 18s
added "tests" patch Tests #9: Commit 92e0f31 pushed by gwirn
June 14, 2024 06:37 4m 17s master
master
June 14, 2024 06:37 4m 17s
removed need for explicit from import_pdb Tests #8: Commit e3b651d pushed by gwirn
June 13, 2024 08:30 4m 11s master
master
June 13, 2024 08:30 4m 11s
Merge pull request #20 from Degiacomi-Lab/f_fileformats Tests #7: Commit dc31414 pushed by degiacom
June 6, 2024 14:25 4m 23s master
master
June 6, 2024 14:25 4m 23s
fixing file extension check Tests #6: Commit 9eecc8f pushed by gwirn
June 6, 2024 10:37 4m 31s f_fileformats
f_fileformats
June 6, 2024 10:37 4m 31s
can now read (pdb) trajectories without topology Tests #5: Commit c6517e3 pushed by gwirn
June 6, 2024 09:07 4m 18s f_fileformats
f_fileformats
June 6, 2024 09:07 4m 18s