Issues

• Determine M-protein heteroatom coordination bonds

  bug
  hjkgrp/quantumPDB#23 · Filter by author ppapa2000 opened on Aug 14, 2026
  

• Errors when trying to cap metal-coordinating residues that are neighbors of a force-excluded residue

  bug
  hjkgrp/quantumPDB#22 · Filter by author ppapa2000 opened on Aug 14, 2026
  

• Extract protonation states of ionizable residues from Protoss output

  hjkgrp/quantumPDB#13 · Filter by author Benzoin96485 opened on Aug 7, 2026 · 2026 Summer QP Hackathon
  

• Inconsistent spin multiplicity, charge, and total electron count in the original manuscript

  hjkgrp/quantumPDB#10 · Filter by author Benzoin96485 opened on Aug 7, 2026

• Critical errors preventing QM cluster generation in the original manuscript

  hjkgrp/quantumPDB#9 · Filter by author Benzoin96485 opened on Aug 4, 2026 · 2026 Summer QP Hackathon