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Add Coveralls Coverage Reporting to CI

enhancementNew feature or requestNew feature or request

Status: Open.

Task

#21 In CCPBioSim/prepmd;

· harryswift01 opened on Jun 8, 2026

Integrate Zenodo with release workflow

enhancementNew feature or requestNew feature or request

Status: Open.

Task

#19 In CCPBioSim/prepmd;

· harryswift01 opened on Jun 8, 2026

Migrate Documentation to Read the Docs

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

Task

#17 In CCPBioSim/prepmd;

· harryswift01 opened on Jun 8, 2026

Introduce Table for GitHub Badges

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

Task

#16 In CCPBioSim/prepmd;

· harryswift01 opened on Jun 2, 2026

OpenMM can't write OpenFF topologies; OpenFF can't write .mmcif files

Status: Open.

#12 In CCPBioSim/prepmd;

· Rob-Welch opened on May 11, 2026

Can't build or install on windows due to openff/ambertools dependency

Status: Open.

#11 In CCPBioSim/prepmd;

· Rob-Welch opened on Apr 20, 2026

MDAnalysis can't read and write mmCif files

Status: Open.

#10 In CCPBioSim/prepmd;

· Rob-Welch opened on Apr 20, 2026

conda pdb2pqr package is outdated, possibly unmaintained

Status: Open.

#9 In CCPBioSim/prepmd;

· Rob-Welch opened on Apr 20, 2026

VMD can't read mmCif files generated by OpenMM

Status: Open.

#7 In CCPBioSim/prepmd;

· Rob-Welch opened on Dec 12, 2025