Search results

Published validation roadmap

Status: Open.

#198 In ericchansen/q2mm;

· ericchansen opened on Apr 1, 2026

Check 1: Published FF OpenMM parity gap

Status: Open.

#197 In ericchansen/q2mm;

· ericchansen opened on Apr 1, 2026

research: Evaluate JAX-ReaxFF integration as a q2mm backend

enhancement

Status: Open.

#179 In ericchansen/q2mm;

· ericchansen opened on Mar 26, 2026

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

enhancement

Status: Open.

#176 In ericchansen/q2mm;

· ericchansen opened on Mar 26, 2026

Evaluate Pint for unit handling: performance impact assessment

enhancement

Status: Open.

#161 In ericchansen/q2mm;

· ericchansen opened on Mar 24, 2026

feat: End-to-end differentiable force field fitting

enhancement

Status: Open.

#152 In ericchansen/q2mm;

· ericchansen opened on Mar 24, 2026

feat(openmm): Add electrostatic/charge support

enhancement

Status: Open.

#114 In ericchansen/q2mm;

· ericchansen opened on Mar 23, 2026

feat(backends): AMOEBA polarizable force field support

enhancement

Status: Open.

#98 In ericchansen/q2mm;

· ericchansen opened on Mar 20, 2026

research: Investigate Tinker analytical parameter gradients (VALENCE deprecation)

enhancement

Status: Open.

#97 In ericchansen/q2mm;

· ericchansen opened on Mar 20, 2026

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

enhancement

Status: Open.

#95 In ericchansen/q2mm;

· ericchansen opened on Mar 20, 2026

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

enhancement

Status: Open.

#94 In ericchansen/q2mm;

· ericchansen opened on Mar 20, 2026

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

enhancement

Status: Open.

#69 In ericchansen/q2mm;

· ericchansen opened on Mar 19, 2026