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- Status: Open.#297 In ericchansen/q2mm;
- Status: Open.#261 In ericchansen/q2mm;
research: Evaluate JAX-ReaxFF integration as a q2mm backend
backendBackend-specific (OpenMM, Tinker, JAX, etc.)Backend-specific (OpenMM, Tinker, JAX, etc.)researchInvestigation and feasibility studiesInvestigation and feasibility studiesStatus: Open.#179 In ericchansen/q2mm;perf: Restructure JAX objective as end-to-end differentiable loss (JAX-ReaxFF pattern)
backendBackend-specific (OpenMM, Tinker, JAX, etc.)Backend-specific (OpenMM, Tinker, JAX, etc.)performancePerformance and optimization improvementsPerformance and optimization improvementsStatus: Open.#176 In ericchansen/q2mm;feat(openmm): Add electrostatic/charge support
backendBackend-specific (OpenMM, Tinker, JAX, etc.)Backend-specific (OpenMM, Tinker, JAX, etc.)Status: Open.#114 In ericchansen/q2mm;feat(backends): AMOEBA polarizable force field support
backendBackend-specific (OpenMM, Tinker, JAX, etc.)Backend-specific (OpenMM, Tinker, JAX, etc.)Status: Open.#98 In ericchansen/q2mm;research: Investigate Tinker analytical parameter gradients (VALENCE deprecation)
backendBackend-specific (OpenMM, Tinker, JAX, etc.)Backend-specific (OpenMM, Tinker, JAX, etc.)researchInvestigation and feasibility studiesInvestigation and feasibility studiesStatus: Open.#97 In ericchansen/q2mm;chore(upstream): Propose modular dependencies PR to jax-md
upstreamUpstream dependency workUpstream dependency workStatus: Open.#95 In ericchansen/q2mm;feat(backends): Native Windows jax-md support via Winloop
backendBackend-specific (OpenMM, Tinker, JAX, etc.)Backend-specific (OpenMM, Tinker, JAX, etc.)Status: Open.#94 In ericchansen/q2mm;- Status: Open.#69 In ericchansen/q2mm;