Issues

• Positive force-constant constraint for TS force fields: status & rationale

  ericchansen/q2mm#297 · Filter by author ericchansen opened on Jul 2, 2026

• MM3 stretch-bend: OpenMM/Tinker implementation + wildcard atom type matching

  enhancement
  ericchansen/q2mm#261 · Filter by author ericchansen opened on Apr 18, 2026
  1

• research: Evaluate JAX-ReaxFF integration as a q2mm backend

  backendresearch
  ericchansen/q2mm#179 · Filter by author ericchansen opened on Mar 26, 2026
  4

• perf: Restructure JAX objective as end-to-end differentiable loss (JAX-ReaxFF pattern)

  backendperformance
  ericchansen/q2mm#176 · Filter by author ericchansen opened on Mar 26, 2026
  3

• feat(openmm): Add electrostatic/charge support

  backendenhancement
  ericchansen/q2mm#114 · Filter by author ericchansen opened on Mar 23, 2026

• feat(backends): AMOEBA polarizable force field support

  backendenhancement
  ericchansen/q2mm#98 · Filter by author ericchansen opened on Mar 20, 2026

• research: Investigate Tinker analytical parameter gradients (VALENCE deprecation)

  backendresearch
  ericchansen/q2mm#97 · Filter by author ericchansen opened on Mar 20, 2026

• chore(upstream): Propose modular dependencies PR to jax-md

  upstream
  ericchansen/q2mm#95 · Filter by author ericchansen opened on Mar 20, 2026

• feat(backends): Native Windows jax-md support via Winloop

  backendenhancement
  ericchansen/q2mm#94 · Filter by author ericchansen opened on Mar 20, 2026

• feat: Open-source virtual screening module (replaces legacy CatVS/screen)

  enhancement
  ericchansen/q2mm#69 · Filter by author ericchansen opened on Mar 19, 2026