2 Pull requests merged by 2 people

• RDKit converter inferring

  #4305 merged Jul 20, 2025

• BUG: large DCD file seeking on Win

  #5086 merged Jul 20, 2025

1 Issue closed by 2 people

• issue with large dcd seeking

  #4879 closed Jul 20, 2025

2 Issues opened by 2 people

• MAINT, BENCH: remove reference to nose

  #5085 opened Jul 18, 2025

• Adding time series functionality to MD analysis

  #5084 opened Jul 17, 2025

13 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• Feature non linear time averaged msd

  #5066 commented on Jul 22, 2025 • 18 new comments

• feature: IMDReader Integration

  #4923 commented on Jul 21, 2025 • 9 new comments

• ENH: add TPR position and velocity read support

  #4873 commented on Jul 18, 2025 • 5 new comments

• Implementation of fetch_pdb()

  #4943 commented on Jul 23, 2025 • 4 new comments

• Update NCDF Reader to read .ncrst Restart Files

  #5031 commented on Jul 22, 2025 • 2 new comments

• TST, MAINT: test_thread_limit_apply failure with NumPy 2.1.0.dev

  #4570 commented on Jul 17, 2025 • 0 new comments

• Adding Appending Functionality to Writers

  #3861 commented on Jul 18, 2025 • 0 new comments

• Build time tests makes machine to hang

  #5078 commented on Jul 19, 2025 • 0 new comments

• RDKitConverter improvements

  #3996 commented on Jul 21, 2025 • 0 new comments

• [DOC] doctest MEGA-issue

  #3925 commented on Jul 23, 2025 • 0 new comments

• Implementing `gemmi`-based mmcif reader (with easy extension to PDB/PDBx and mmJSON)

  #4712 commented on Jul 18, 2025 • 0 new comments

• Optimize the calculation speed and logic of `InterRDF_s` to ensure that the results are consistent with `InterRDF`

  #5073 commented on Jul 21, 2025 • 0 new comments

• Added parallelization to polymer.PersistenceLength

  #5074 commented on Jul 18, 2025 • 0 new comments