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Clarify principal_axes() documentation regarding axis orientation First Time Contributor Greetings #775: Pull request #5311 opened by AkshitBoora
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Fix PDF documentation build configuration First Time Contributor Greetings #774: Pull request #5310 opened by sonu-saini19
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BEN: Add HydrogenBondAnalysis benchmark for performance tracking First Time Contributor Greetings #773: Pull request #5309 opened by Dreamstick9
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Fix documentation for geometric selections with PBC (#2166) First Time Contributor Greetings #770: Pull request #5305 opened by AkshitBoora
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Fix #3743: replace assert_almost_equal with assert_allclose in test_gnm.py First Time Contributor Greetings #769: Pull request #5302 opened by laksh-johri
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DOC: fix doctests in pca.py for newer NumPy output format First Time Contributor Greetings #768: Pull request #5301 opened by Kd1880
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Add benchmarks for MDAnalysis.analysis.align First Time Contributor Greetings #767: Pull request #5298 opened by noir4201
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DOC: fix doctests in universe.py for newer NumPy and optional rdkit First Time Contributor Greetings #766: Pull request #5297 opened by Kd1880
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Add no selection option to RMSD analysis class First Time Contributor Greetings #765: Pull request #5296 opened by ollyfutur
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Refactor residue-name matching logic in selection.py First Time Contributor Greetings #764: Pull request #5294 opened by ParthUppal523
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Add ASV benchmarks for MDAnalysis.lib core kernels First Time Contributor Greetings #763: Pull request #5292 opened by Amarendra22
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Add ASV benchmark for Contacts analysis First Time Contributor Greetings #762: Pull request #5291 opened by Amarendra22
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Replace deprecated assert_almost_equal with assert_allclose in GNM tests First Time Contributor Greetings #761: Pull request #5290 opened by SRASHTI2004
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Remove RTD labeller First Time Contributor Greetings #760: Pull request #5288 opened by IAlibay
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Update CI workflows a bit First Time Contributor Greetings #759: Pull request #5286 opened by IAlibay
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DOC: fix doctest in util.py for greedy_splitext on Windows First Time Contributor Greetings #758: Pull request #5285 opened by Kd1880
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DOC: fix doctest output in transformations.py for newer NumPy First Time Contributor Greetings #757: Pull request #5283 opened by Kd1880
1m 7s
1m 7s
Replace deprecated assert_almost_equal with assert_allclose in GNM tests First Time Contributor Greetings #756: Pull request #5282 opened by SRASHTI2004
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Improve clarity of project description in README First Time Contributor Greetings #755: Pull request #5278 opened by SRASHTI2004
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Added MSD benchmarks file First Time Contributor Greetings #754: Pull request #5277 opened by aygarwal
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Fix doctest examples in selections.rst (#3925) First Time Contributor Greetings #753: Pull request #5276 opened by jamalfaisal
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Fix typo in benchmarks README (#5258) First Time Contributor Greetings #752: Pull request #5269 opened by AkshitBoora
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Implement pip dependency caching for Azure Pipelines First Time Contributor Greetings #751: Pull request #5267 opened by unnatikdm
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Fix add_transformations broken state after invalid input First Time Contributor Greetings #750: Pull request #5265 opened by harshitgajjela-droid
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fixed multiple typos in python files First Time Contributor Greetings #749: Pull request #5263 opened by jyothiswaroopch
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