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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
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
updated examples for new PDBData class Tests #4: Commit 7977302 pushed by gwirn
June 5, 2024 13:09 4m 20s f_fileformats
f_fileformats
June 5, 2024 13:09 4m 20s
updating device name from CUDA to what's available Tests #3: Commit 910e49e pushed by gwirn
June 5, 2024 10:18 4m 21s f_fileformats
f_fileformats
June 5, 2024 10:18 4m 21s
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
updating python version to fix conda error Tests #2: Commit 0ab4784 pushed by gwirn
June 5, 2024 10:06 4m 20s f_fileformats
f_fileformats
June 5, 2024 10:06 4m 20s
adding tests on push Tests #1: Commit d3231f2 pushed by gwirn
June 5, 2024 09:49 4m 57s f_fileformats
f_fileformats
June 5, 2024 09:49 4m 57s
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