Issues

• Review remaining temporary-resource ownership and tool lifecycle

  proposal
  uibcdf/dockingmt#50 · Filter by author LMMV opened on Oct 10, 2026

• Retire remaining consumer implementations of general molecular operations

  component:molsysmt
  uibcdf/dockingmt#49 · Filter by author LMMV opened on Oct 10, 2026
  24

• Review distribution controls and prepare the agreed first Conda route

  partialproposal
  uibcdf/dockingmt#47 · Filter by author LMMV opened on Oct 7, 2026
  12

• Validate native MolSysMT SDF/PDBQT integration and define the chemical preparation profile

  component:molsysmtenhancement
  uibcdf/dockingmt#33 · Filter by author dprada opened on Oct 3, 2026
  36

• Adopt required Python 3.11–3.14 support and record qualification

  component:molsysmtcomponent:molsysviewerenhancementpartial
  uibcdf/dockingmt#30 · Filter by author dprada opened on Oct 2, 2026
  6

• Decide how to collect and publish validation strategies and benchmarks

  proposal
  uibcdf/dockingmt#29 · Filter by author dprada opened on Oct 2, 2026
  1

• Review extension boundaries and establish an architecture performance baseline

  uibcdf/dockingmt#28 · Filter by author dprada opened on Oct 2, 2026
  14

• Add recurring full CI and protected contributor routes

  uibcdf/dockingmt#21 · Filter by author LMMV opened on Sep 30, 2026
  10

• Review Python ecosystem policy adoption

  enhancement
  uibcdf/dockingmt#19 · Filter by author LMMV opened on Sep 27, 2026
  15

• Define ligand torsion policy across RDKit and Vina reference differences

  component:molsysmtenhancement
  uibcdf/dockingmt#17 · Filter by author dprada opened on Sep 26, 2026
  42

• Support selected flexible receptor residues in the Vina adapter

  enhancement
  uibcdf/dockingmt#7 · Filter by author dprada opened on Sep 22, 2026

• Select active ligand torsions for Vina preparation

  component:molsysmtenhancement
  uibcdf/dockingmt#6 · Filter by author dprada opened on Sep 22, 2026
  46

• Vina preparation fabricates zero charges and name-based atom types

  bugcomponent:molsysmt
  uibcdf/dockingmt#5 · Filter by author dprada opened on Sep 22, 2026
  43

• Select molecular states and record preparation decisions for docking

  component:molsysmtcomponent:molsysviewerenhancement
  uibcdf/dockingmt#4 · Filter by author dprada opened on Sep 22, 2026
  15

• Track planned MolSysMT PDBQT and SDF form support

  uibcdf/dockingmt#3 · Filter by author dprada opened on Sep 22, 2026
  1