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Investigate different test run times

Status: Open.

#83 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Jun 23, 2025

Test new PDB reader

Status: Open.

#76 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Mar 12, 2025

Better names and repo cleanup

Status: Open.

#74 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Mar 12, 2025

Check len(mol) after load to give better error

bugSomething isn't workingSomething isn't working

Status: Open.

#73 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Feb 5, 2025

Update readme to point to example

bugSomething isn't workingSomething isn't working

Status: Open.

#64 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Feb 3, 2025

Add non-micromamba install steps

bugSomething isn't workingSomething isn't working

Status: Open.

#63 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Feb 3, 2025

apptainer issue on rescale

bugSomething isn't workingSomething isn't working

Status: Open.

#58 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Nov 15, 2024

pH and protenation settings

enhancementNew feature or requestNew feature or request

Status: Open.

#57 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Nov 15, 2024

Slabs

enhancementNew feature or requestNew feature or request

Status: Open.

#56 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Nov 15, 2024

Add pandas and matplotlib to deps

enhancementNew feature or requestNew feature or request

Status: Open.

#55 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Nov 15, 2024

Analysis

enhancementNew feature or requestNew feature or request

Status: Open.

#54 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Nov 15, 2024

Solvation

enhancementNew feature or requestNew feature or request

Status: Open.

#53 In omsf/OpenPharmMDFlow;

· mikemhenry opened on Nov 15, 2024