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draft-pdf.yml
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add description .github/workflows/draft-pdf.yml #202: Commit 7670074 pushed by gwirn
August 1, 2024 10:35 1m 5s contactmaps
contactmaps
August 1, 2024 10:35 1m 5s
added description .github/workflows/draft-pdf.yml #201: Commit 2326df9 pushed by gwirn
July 31, 2024 12:00 58s padding
padding
July 31, 2024 12:00 58s
Merge pull request #21 from Degiacomi-Lab/prepare_fix .github/workflows/draft-pdf.yml #200: Commit 6754592 pushed by degiacom
June 27, 2024 14:07 1m 22s master
master
June 27, 2024 14:07 1m 22s
added ability to align on subset of atoms .github/workflows/draft-pdf.yml #199: Commit 28aff03 pushed by gwirn
June 27, 2024 10:23 1m 0s prepare_fix
prepare_fix
June 27, 2024 10:23 1m 0s
added flag to save json log file and improved trajectory preparation .github/workflows/draft-pdf.yml #198: Commit cd6f347 pushed by gwirn
June 26, 2024 09:08 1m 5s prepare_fix
prepare_fix
June 26, 2024 09:08 1m 5s
added "tests" patch .github/workflows/draft-pdf.yml #197: Commit 92e0f31 pushed by gwirn
June 14, 2024 06:37 1m 8s master
master
June 14, 2024 06:37 1m 8s
removed need for explicit from import_pdb .github/workflows/draft-pdf.yml #196: Commit e3b651d pushed by gwirn
June 13, 2024 08:30 1m 6s master
master
June 13, 2024 08:30 1m 6s
Merge pull request #20 from Degiacomi-Lab/f_fileformats .github/workflows/draft-pdf.yml #195: Commit dc31414 pushed by degiacom
June 6, 2024 14:25 1m 6s master
master
June 6, 2024 14:25 1m 6s
fixing file extension check .github/workflows/draft-pdf.yml #194: Commit 9eecc8f pushed by gwirn
June 6, 2024 10:37 1m 6s f_fileformats
f_fileformats
June 6, 2024 10:37 1m 6s
can now read (pdb) trajectories without topology .github/workflows/draft-pdf.yml #193: Commit c6517e3 pushed by gwirn
June 6, 2024 09:07 1m 0s f_fileformats
f_fileformats
June 6, 2024 09:07 1m 0s
updated examples for new PDBData class .github/workflows/draft-pdf.yml #192: Commit 7977302 pushed by gwirn
June 5, 2024 13:09 1m 4s f_fileformats
f_fileformats
June 5, 2024 13:09 1m 4s
updating device name from CUDA to what's available .github/workflows/draft-pdf.yml #191: Commit 910e49e pushed by gwirn
June 5, 2024 10:18 59s f_fileformats
f_fileformats
June 5, 2024 10:18 59s
updating python version to fix conda error .github/workflows/draft-pdf.yml #190: Commit 0ab4784 pushed by gwirn
June 5, 2024 10:06 1m 2s f_fileformats
f_fileformats
June 5, 2024 10:06 1m 2s
adding tests on push .github/workflows/draft-pdf.yml #189: Commit d3231f2 pushed by gwirn
June 5, 2024 09:49 59s f_fileformats
f_fileformats
June 5, 2024 09:49 59s
updated remaining test for new PDBData class .github/workflows/draft-pdf.yml #188: Commit 5caaa6a pushed by gwirn
June 5, 2024 09:41 1m 2s f_fileformats
f_fileformats
June 5, 2024 09:41 1m 2s
rewrite of the PDBData class to use MDAnalysis to read different traj… .github/workflows/draft-pdf.yml #187: Commit 00c87eb pushed by gwirn
June 4, 2024 14:57 1m 0s f_fileformats
f_fileformats
June 4, 2024 14:57 1m 0s
removed topology dependency for single pdb file trajectory .github/workflows/draft-pdf.yml #186: Commit 8b653c7 pushed by gwirn
June 4, 2024 08:49 58s master
master
June 4, 2024 08:49 58s
Update README.md .github/workflows/draft-pdf.yml #185: Commit aba7a0b pushed by degiacom
June 3, 2024 14:45 51s master
master
June 3, 2024 14:45 51s
Merge pull request #19 from Degiacomi-Lab/clustering .github/workflows/draft-pdf.yml #184: Commit 79abb57 pushed by degiacom
June 3, 2024 14:00 57s master
master
June 3, 2024 14:00 57s
added example for data preparation .github/workflows/draft-pdf.yml #183: Commit e2c5505 pushed by gwirn
June 3, 2024 13:18 56s clustering
clustering
June 3, 2024 13:18 56s
new data preparation class .github/workflows/draft-pdf.yml #182: Commit e92d09a pushed by gwirn
June 3, 2024 12:38 1m 22s clustering
clustering
June 3, 2024 12:38 1m 22s
removed duplicated openmmtorchplugin .github/workflows/draft-pdf.yml #181: Commit 0b210b1 pushed by gwirn
May 31, 2024 18:02 49s master
master
May 31, 2024 18:02 49s
updated checkpoints for new formatting .github/workflows/draft-pdf.yml #180: Commit cb6219d pushed by gwirn
May 31, 2024 17:36 55s master
master
May 31, 2024 17:36 55s
Update analysis_example.py .github/workflows/draft-pdf.yml #179: Commit b775506 pushed by degiacom
May 31, 2024 09:31 52s master
master
May 31, 2024 09:31 52s
Update README.md .github/workflows/draft-pdf.yml #178: Commit f34283b pushed by degiacom
May 31, 2024 09:29 51s master
master
May 31, 2024 09:29 51s