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Add ARM build configuration for Python 3.13 readthedocs/preview #577: Pull request #5387 opened by IAlibay
5m 48s
5m 48s
Updates to wheel deployment workflow readthedocs/preview #576: Pull request #5386 opened by IAlibay
3m 40s
3m 40s
Remove first-interaction welcome for now readthedocs/preview #575: Pull request #5384 opened by IAlibay
3m 18s
3m 18s
[WIP] Fix Cron CI readthedocs/preview #574: Pull request #5383 opened by IAlibay
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FIX: Mismatch in groupselections for RMSD between target and reference readthedocs/preview #573: Pull request #5379 opened by DhanushkaWeerakoon
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ENH: expose TPR box dimensions through timestep readthedocs/preview #572: Pull request #5377 opened by iamtanmaybaranwal
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standardize logging.getLogger() to use __name__ (Issue #5369) readthedocs/preview #571: Pull request #5376 opened by Jatin-Khiyani
18s
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BUG: use base units for TPR x/v parsing readthedocs/preview #570: Pull request #5374 opened by tylerjereddy
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ENH: support GMX linear angle potential readthedocs/preview #569: Pull request #5372 opened by tylerjereddy
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Refactoring the logging module readthedocs/preview #568: Pull request #5367 opened by jauy123
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Changed definition of self._groupselections_ref_coords64 readthedocs/preview #567: Pull request #5366 opened by DhanushkaWeerakoon
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FIX: Full resname matching for nucleic acid analysis readthedocs/preview #566: Pull request #5365 opened by BradyAJohnston
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Performance: significant speedup and memory usage improvement for PCA().run() readthedocs/preview #565: Pull request #5352 opened by jberg5
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Standardize atomicdistances to use results readthedocs/preview #564: Pull request #5347 opened by charity-g
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Add ASV benchmark suite and vectorized distance optimization readthedocs/preview #563: Pull request #5346 opened by Zzeelan7
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FIX: Use mean aggregation for InterRDF bins readthedocs/preview #562: Pull request #5344 opened by raulloiscuns
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Fix bond guessing with mixed-case atomtypes readthedocs/preview #561: Pull request #5343 opened by hejamu
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Add input validation and tests for contact_matrix readthedocs/preview #560: Pull request #5339 opened by PulindGadhia
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Add support for wrapping representations (tric, rect, compact) in AtomGroup.wrap() readthedocs/preview #559: Pull request #5338 opened by ayushk687
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feat: implement from_AlphaFold fetcher #3377 readthedocs/preview #558: Pull request #5335 opened by jhawpetoss6-collab
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FIX (CI): Update First Contributor Greeting workflow inputs and add issue_message readthedocs/preview #557: Pull request #5332 opened by ParthUppal523
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DOC: (Follow-up to PR #5325) Add missing docstrings and update CHANGELOG readthedocs/preview #556: Pull request #5331 opened by ParthUppal523
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tests: replaced deprecated assert_almost_equal in GNM analysis test ref #3743 readthedocs/preview #555: Pull request #5329 opened by MegaCoderNerd
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Add documentation for 'all' selection keyword readthedocs/preview #554: Pull request #5326 opened by RitikaSen27
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DOC: add documentation for 'all' keyword readthedocs/preview #553: Pull request #5325 opened by ParthUppal523
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