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Expose C distance backend in libmdanalysis.pxd
First Time Contributor Greetings #380: Pull request #4342 opened by hmacdope
November 11, 2023 09:37 52s
November 11, 2023 09:37 52s
Deprecate lib.util.which
First Time Contributor Greetings #379: Pull request #4340 opened by IAlibay
November 5, 2023 11:50 34s
November 5, 2023 11:50 34s
Port over the get_cmap fix from mdakit-hole2
First Time Contributor Greetings #378: Pull request #4338 opened by IAlibay
November 5, 2023 11:14 37s
November 5, 2023 11:14 37s
Deprecate TRZ
First Time Contributor Greetings #377: Pull request #4335 opened by IAlibay
November 5, 2023 09:12 2m 4s
November 5, 2023 09:12 2m 4s
Deprecate ts argument to _read_next_timestep
First Time Contributor Greetings #376: Pull request #4334 opened by hmacdope
November 5, 2023 09:02 2m 58s
November 5, 2023 09:02 2m 58s
Add DepWarnings to X3DNA code and docs
First Time Contributor Greetings #375: Pull request #4333 opened by hmacdope
November 5, 2023 09:04 44s
November 5, 2023 09:04 44s
Make biopython an optional dependency
First Time Contributor Greetings #374: Pull request #4332 opened by IAlibay
November 3, 2023 19:14 1m 3s
November 3, 2023 19:14 1m 3s
Make networkx optional
First Time Contributor Greetings #373: Pull request #4331 opened by IAlibay
November 3, 2023 12:27 54s
November 3, 2023 12:27 54s
scipy.integrate.simps deprecation
First Time Contributor Greetings #372: Pull request #4330 opened by IAlibay
November 3, 2023 11:28 43s
November 3, 2023 11:28 43s
Adding py3.12 to full dependency CI checks
First Time Contributor Greetings #371: Pull request #4329 opened by IAlibay
October 28, 2023 07:18 38s
October 28, 2023 07:18 38s
Fix deploy to use the right environment & token permissions
First Time Contributor Greetings #370: Pull request #4328 opened by IAlibay
October 27, 2023 18:39 44s
October 27, 2023 18:39 44s
Add Py3.12 for Azure pipelines CI
First Time Contributor Greetings #369: Pull request #4327 opened by IAlibay
October 27, 2023 17:45 44s
October 27, 2023 17:45 44s
Update deploy things for py312 + OpenID Connect publishing
First Time Contributor Greetings #368: Pull request #4325 opened by IAlibay
October 27, 2023 15:37 51s
October 27, 2023 15:37 51s
feat: add zone selection to support a box like selection from given selection
First Time Contributor Greetings #367: Pull request #4324 opened by Cloudac7
October 25, 2023 08:43 1m 52s
October 25, 2023 08:43 1m 52s
run all linters and fix files
First Time Contributor Greetings #366: Pull request #4322 opened by jandom
October 20, 2023 19:40 43s
October 20, 2023 19:40 43s
feat: add pre commit config
First Time Contributor Greetings #365: Pull request #4321 opened by jandom
October 19, 2023 19:44 49s
October 19, 2023 19:44 49s
Add 3.12 to minimal deps CI run
First Time Contributor Greetings #364: Pull request #4319 opened by IAlibay
October 12, 2023 02:51 37s
October 12, 2023 02:51 37s
adds vsites as bonds between base particles and vsite
First Time Contributor Greetings #363: Pull request #4318 opened by BartBruininks
October 10, 2023 14:17 2m 0s
October 10, 2023 14:17 2m 0s
MAINT: mkdtemp 3.12 support
First Time Contributor Greetings #362: Pull request #4309 opened by tylerjereddy
October 2, 2023 21:33 37s
October 2, 2023 21:33 37s
RDKit converter inferring
First Time Contributor Greetings #361: Pull request #4305 opened by cbouy
September 29, 2023 15:41 42s
September 29, 2023 15:41 42s
Feature/dssp
First Time Contributor Greetings #360: Pull request #4304 opened by marinegor
September 29, 2023 14:07 46s
September 29, 2023 14:07 46s
[WIP] first draft of PDBx Reader
First Time Contributor Greetings #359: Pull request #4303 opened by richardjgowers
September 29, 2023 13:47 39s
September 29, 2023 13:47 39s
Added LipidSelection class
First Time Contributor Greetings #358: Pull request #4302 opened by sriraksha-srinivasan
September 29, 2023 13:46 1m 53s
September 29, 2023 13:46 1m 53s
MAINT: Python 3.12 cleanups part 2
First Time Contributor Greetings #357: Pull request #4301 opened by tylerjereddy
September 24, 2023 21:40 41s
September 24, 2023 21:40 41s
MAINT: Python 3.12 support improve
First Time Contributor Greetings #356: Pull request #4300 opened by tylerjereddy
September 24, 2023 20:58 42s
September 24, 2023 20:58 42s