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Fix bug in PCA trajectory iteration -- avoid explicit usage of self.start readthedocs/preview #192: Pull request #4423 opened by marinegor
January 12, 2024 14:23 14s
January 12, 2024 14:23 14s
Used between to update donors_sel and acceptors_sel readthedocs/preview #191: Pull request #4422 opened by Sumit112192
January 11, 2024 14:01 16s
January 11, 2024 14:01 16s
Accessible Surface Area calculations readthedocs/preview #190: Pull request #4417 opened by JureCerar
January 8, 2024 20:30 18s
January 8, 2024 20:30 18s
Feat: Add n_initial_contacts attribute and document Contacts class attributes readthedocs/preview #189: Pull request #4415 opened by HeetVekariya
January 7, 2024 06:34 15s
January 7, 2024 06:34 15s
Fix types on XDR::xdr_ops function struct for clang16 compilation readthedocs/preview #188: Pull request #4408 opened by hmacdope
January 3, 2024 07:04 15s
January 3, 2024 07:04 15s
ChainedReader __repr__ fix for MemoryReader sub-readers readthedocs/preview #187: Pull request #4407 opened by ljwoods2
January 2, 2024 05:55 12s
January 2, 2024 05:55 12s
Deprecate waterdynamics and replace with waterdynamics mdakit readthedocs/preview #186: Pull request #4404 opened by IAlibay
December 29, 2023 16:50 12s
December 29, 2023 16:50 12s
Deprecate PSA and replace with PathSimAnalysis mdakit readthedocs/preview #185: Pull request #4403 opened by IAlibay
December 29, 2023 15:52 15s
December 29, 2023 15:52 15s
Update minimum numpy support to match 1.23[.2] readthedocs/preview #184: Pull request #4402 opened by IAlibay
December 29, 2023 15:03 12s
December 29, 2023 15:03 12s
Add workflow dispatch to CI actions readthedocs/preview #183: Pull request #4398 opened by IAlibay
December 28, 2023 09:25 12s
December 28, 2023 09:25 12s
Fix deploy action readthedocs/preview #182: Pull request #4396 opened by IAlibay
December 27, 2023 00:06 12s
December 27, 2023 00:06 12s
Start 2.8.0-dev0 readthedocs/preview #181: Pull request #4395 opened by IAlibay
December 26, 2023 23:29 15s
December 26, 2023 23:29 15s
Add Cython 3.0.7 generated files readthedocs/preview #180: Pull request #4393 opened by IAlibay
December 26, 2023 19:43 58s
December 26, 2023 19:43 58s
Change the target build names for cibuildwheels for cirrus readthedocs/preview #179: Pull request #4392 opened by IAlibay
December 26, 2023 19:09 14s
December 26, 2023 19:09 14s
Tie off 2.7.0, add release upper pin (numpy) readthedocs/preview #178: Pull request #4389 opened by IAlibay
December 26, 2023 17:29 16s
December 26, 2023 17:29 16s
Fix upper python+numpy pin for build system readthedocs/preview #177: Pull request #4385 opened by IAlibay
December 24, 2023 12:39 11s
December 24, 2023 12:39 11s
Try to fix numpy dev0 install in nightly wheels readthedocs/preview #176: Pull request #4383 opened by IAlibay
December 23, 2023 23:19 15s
December 23, 2023 23:19 15s
Fix: Reduce_dimensionality.py doctest error readthedocs/preview #175: Pull request #4380 opened by HeetVekariya
December 22, 2023 17:44 12s
December 22, 2023 17:44 12s
Fix: Similarity.py doctest error readthedocs/preview #174: Pull request #4379 opened by HeetVekariya
December 22, 2023 16:31 15s
December 22, 2023 16:31 15s
Fix: Psa.py doctest error readthedocs/preview #173: Pull request #4378 opened by HeetVekariya
December 22, 2023 14:14 12s
December 22, 2023 14:14 12s
Fix: Pca.py doctest error readthedocs/preview #172: Pull request #4377 opened by HeetVekariya
December 22, 2023 13:51 14s
December 22, 2023 13:51 14s
Update README to reflect move to GitHub Discussions readthedocs/preview #171: Pull request #4375 opened by RMeli
December 21, 2023 14:52 20s
December 21, 2023 14:52 20s
Fix: groups.py doctest fixes readthedocs/preview #170: Pull request #4374 opened by ljwoods2
December 20, 2023 02:33 14s
December 20, 2023 02:33 14s
Fix: Align.py doctest error readthedocs/preview #169: Pull request #4373 opened by HeetVekariya
December 19, 2023 02:58 19s
December 19, 2023 02:58 19s
Fix changelog authors readthedocs/preview #168: Pull request #4372 opened by IAlibay
December 17, 2023 22:57 11s
December 17, 2023 22:57 11s