Issues

• Investigate different test run times

  omsf/OpenPharmMDFlow#83 · Filter by author mikemhenry opened on Jun 23, 2025

• Test new PDB reader

  omsf/OpenPharmMDFlow#76 · Filter by author mikemhenry opened on Mar 12, 2025

• Better names and repo cleanup

  omsf/OpenPharmMDFlow#74 · Filter by author mikemhenry opened on Mar 12, 2025
  1

• Check len(mol) after load to give better error

  bug
  omsf/OpenPharmMDFlow#73 · Filter by author mikemhenry opened on Feb 5, 2025

• Update readme to point to example

  bug
  omsf/OpenPharmMDFlow#64 · Filter by author mikemhenry opened on Feb 3, 2025

• Add non-micromamba install steps

  bug
  omsf/OpenPharmMDFlow#63 · Filter by author mikemhenry opened on Feb 3, 2025

• apptainer issue on rescale

  bug
  omsf/OpenPharmMDFlow#58 · Filter by author mikemhenry opened on Nov 15, 2024

• pH and protenation settings

  enhancement
  omsf/OpenPharmMDFlow#57 · Filter by author mikemhenry opened on Nov 15, 2024
  1

• Slabs

  enhancement
  omsf/OpenPharmMDFlow#56 · Filter by author mikemhenry opened on Nov 15, 2024

• Add pandas and matplotlib to deps

  enhancement
  omsf/OpenPharmMDFlow#55 · Filter by author mikemhenry opened on Nov 15, 2024

• Analysis

  enhancement
  omsf/OpenPharmMDFlow#54 · Filter by author mikemhenry opened on Nov 15, 2024

• Solvation

  enhancement
  omsf/OpenPharmMDFlow#53 · Filter by author mikemhenry opened on Nov 15, 2024

• View traj

  bug
  omsf/OpenPharmMDFlow#52 · Filter by author mikemhenry opened on Nov 15, 2024

• Add unit docs

  bug
  omsf/OpenPharmMDFlow#51 · Filter by author mikemhenry opened on Nov 15, 2024

• Make single file installers

  bug
  omsf/OpenPharmMDFlow#50 · Filter by author mikemhenry opened on Nov 15, 2024

• Add Antibody structure prediction tools

  enhancement
  omsf/OpenPharmMDFlow#43 · Filter by author mikemhenry opened on Oct 17, 2024

• Add fallback cif reader

  enhancement
  omsf/OpenPharmMDFlow#40 · Filter by author mikemhenry opened on Oct 10, 2024

• CIF Reader stress testing

  enhancement
  omsf/OpenPharmMDFlow#33 · Filter by author cjcook41 opened on Feb 6, 2024
  1

  

• Build out mini MVP

  omsf/OpenPharmMDFlow#28 · Filter by author mikemhenry opened on Jan 3, 2024
  6

• User Story 4

  US 4user story
  omsf/OpenPharmMDFlow#22 · Filter by author amburan opened on Dec 13, 2023
  1

• User Story 3

  US 3user story
  omsf/OpenPharmMDFlow#21 · Filter by author cjcook41 opened on Dec 13, 2023

• User Story 2

  US 2user story
  omsf/OpenPharmMDFlow#20 · Filter by author amburan opened on Dec 13, 2023

• User story 1

  US 1user story
  omsf/OpenPharmMDFlow#18 · Filter by author amjadkchy opened on Nov 29, 2023
  4

• Figure out MVP

  omsf/OpenPharmMDFlow#6 · Filter by author mikemhenry opened on Nov 10, 2023

• Document repo layout

  omsf/OpenPharmMDFlow#2 · Filter by author mikemhenry opened on Nov 10, 2023
  3