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draft-pdf.yml
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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
Merge pull request #18 from Degiacomi-Lab/feature_formatting .github/workflows/draft-pdf.yml #177: Commit 10a5711 pushed by degiacom
May 31, 2024 09:23 51s master
master
May 31, 2024 09:23 51s
added formatting to verbose and logfile, fixed multiprocessing porble… .github/workflows/draft-pdf.yml #176: Commit 51b97ef pushed by gwirn
May 31, 2024 08:30 47s feature_formatting
feature_formatting
May 31, 2024 08:30 47s
environment edit (again) .github/workflows/draft-pdf.yml #175: Commit 23a9fe5 pushed by degiacom
May 29, 2024 19:40 50s master
master
May 29, 2024 19:40 50s
environment edit .github/workflows/draft-pdf.yml #174: Commit 295e507 pushed by degiacom
May 29, 2024 19:36 45s master
master
May 29, 2024 19:36 45s
update doc .github/workflows/draft-pdf.yml #173: Commit 131dcf7 pushed by degiacom
May 29, 2024 18:42 47s master
master
May 29, 2024 18:42 47s
bugfix for foldingnet .github/workflows/draft-pdf.yml #172: Commit 4e6b640 pushed by degiacom
February 23, 2024 21:08 46s master
master
February 23, 2024 21:08 46s
Merge pull request #17 from SCMusson/releasev2.0.4 .github/workflows/draft-pdf.yml #171: Commit 96bf989 pushed by degiacom
December 4, 2023 16:23 1m 7s master
master
December 4, 2023 16:23 1m 7s
Merge pull request #13 from Degiacomi-Lab/dev .github/workflows/draft-pdf.yml #170: Commit d63161f pushed by degiacom
October 27, 2023 07:36 1m 14s master
master
October 27, 2023 07:36 1m 14s
adding version works better for logs now, it is saved as an int rathe… .github/workflows/draft-pdf.yml #169: Commit 20081d5 pushed by SCMusson
October 26, 2023 16:51 1m 7s dev
dev
October 26, 2023 16:51 1m 7s