中文
35 modules · 7 categories · AGPL-2.0 compatible

The full aq_affinity module catalog

Every top-level package in the repository — from protein–ligand docking to quantum error correction, from VQE chemistry to NVIDIA Ising solvers. Click Source for the package on GitHub, or Launch to jump to the interactive UI when available.

Bio · Pharma · Chemistry

5 modules
🧬 bio_sim — molecular simulation
aq_affinity/bio_sim
AQAffinity docking, antibody CDR design, protein folding, ADMET, FEP, enzyme design, single-cell — the core drug-discovery stack with OpenMM / PySCF bridges.
Launch Source
⚗️ chem_sim — quantum chemistry
aq_affinity/chem_sim
VQE chemistry, DFT, NMR, reaction mechanisms & paths, transition states, tensor networks, battery / crystal / polymer / photocatalysis / green-chem.
Launch Source
❤️ aqmed — medical diagnostics
aq_affinity/aqmed
AQMed magnetocardiography (MCG), cardiac anomaly classifier, LQM-based biosignal models — SandboxAQ QSense mirror.
Launch Source
⚛️ tqchem — Terra Quantum chemistry
aq_affinity/tqchem
UCCSD, PES scan, excited states, InQuanto bridge, PySCF bridge — a TQ42 TQChem-compatible quantum-chemistry engine.
Launch Studio Source
🧠 lqm — Large Quantitative Models
aq_affinity/lqm
Physics / chem / bio / math LQMs benchmarked 4×–50× against LLM baseline — SandboxAQ-style physics-grounded AI.
Launch Source

Quantum compute

8 modules
quantum_algorithms
VQE · QAOA · QPE · Grover · HHL
Canonical quantum algorithm library used by downstream packages — variational, phase-estimation, amplitude-amplification.
Source
quantum_inspired
6-category QI suite
Tensor-network sims, simulated bifurcation, coherent Ising, MPS/TTN — classical engines that hit quantum-class results on today's hardware.
Source
annealing
QUBO builder · D-Wave · SA
QUBO/Ising problem builder with D-Wave Ocean + simulated annealing + chain-break repair. Portfolio, logistics, molecular-docking QUBO examples included.
Source
analog — neutral atoms
Pasqal Pulser · QuEra Bloqade
Analog neutral-atom quantum computing: Rydberg array layouts, pulse programs, adiabatic schedules. Pasqal + QuEra mirror.
Source
photonic — CV quantum
Gaussian states · bosonic modes
Continuous-variable photonic quantum: Gaussian states on N bosonic modes, squeezing, homodyne, photon-number — Xanadu-style.
Source
noise_models
Kraus · density matrix
Kraus-channel noise models and a mixed-state simulator — depolarizing / amplitude damping / phase damping / Pauli.
Source
error_mitigation
ZNE · PEC · TREx · Q-CTRL
IBM Runtime Primitive-style error mitigation + Q-CTRL Fire Opal mirror (twirling, dynamical decoupling, autosuite).
LaunchSource
qec — error correction
surface code · stabilizers
Toy surface code, stabilizer formalism, syndrome extraction, minimum-weight-perfect-matching decoder.
Source

Quantum ML · Generative · AI platforms

5 modules
generative — QGAN · Born machine
aq_affinity/generative
Quantum generative models: QGAN, Born machine, quantum Boltzmann — with classical surrogate training loops.
Source
qrl — quantum reinforcement learning
aq_affinity/qrl
Variational-quantum-circuit policy + REINFORCE, gym-style env wrappers, entropy regularizer.
Source
qai_hub — No-code QML
aq_affinity/qai_hub
QAI Hub no-code quantum-ML playground — drag-drop VQC / QSVM / QKE / kernel methods, exports to the DAG runner.
Source
multiverse_compact · CompactifAI
aq_affinity/multiverse_compact
Multiverse CompactifAI mirror: tensor-network compression of NN layers (HyperNova / Gilda / App / Portal).
Source
multiverse_singularity
aq_affinity/multiverse_singularity
Multiverse Singularity SDK mirror — no-code quantum / quantum-inspired platform with HyperNova backend switch.
Source

Integrations · Transpilation · Backends

5 modules
integrations
Qiskit Runtime · NVIDIA Ising · CUDA-Q
External hardware + provider integrations: IBM Qiskit Runtime (Estimator/Sampler V2), NVIDIA Ising (CUDA-Q / cuQuantum / CuPy).
Launch IsingSource
transpiler
IR · decomposer · router · optimizer
Circuit IR, gate decomposer, qubit router, peephole + commutation optimizer. The transpilation engine behind every backend.
Source
classiq_synth
aq_affinity/classiq_synth
Classiq-style high-level quantum algorithm synthesis — model-driven circuits from abstract specs.
Source
platform_integration
aq_affinity/platform_integration
Cross-platform glue layer: shared job spec, credentials proxy, result adapter — the bridge between local + cloud backends.
Source
aggregator
aq_affinity/aggregator
Multi-backend router — pick the best backend per job (cost × fidelity × queue × hardware fit).
Source

Industry · Applications · Sensing

4 modules
industrial_optimization
aq_affinity/industrial_optimization
Industrial QUBO library — portfolio optimization, logistics, scheduling, max-cut, knapsack — all solvable on annealing or Ising.
Source
industries
energy · finance · logistics
Vertical industry packages with ready-to-run examples: energy grid, finance derivatives, logistics routing.
Source
quantum_sensing — MagNav
aq_affinity/quantum_sensing
Magnetic Anomaly Navigation (MagNav) — GPS-free positioning via Earth magnetic-field map matching, SandboxAQ QSense mirror.
Source
tq42_studio
aq_affinity/tq42_studio
TQ42 Studio (Enterprise Quantum Innovation) — project / workflow / dataset / experiment model mirroring Terra Quantum's platform.
Source

Orchestration · Agents · Education · Research

5 modules
agents — scientific agents
aq_affinity/agents
ReAct-style orchestrator + tool registry, auto-selects among all modules to complete research goals end-to-end.
Source
workflow — DAG orchestrator
aq_affinity/workflow
Covalent / Orquestra-style @task decorator — local execution, lineage, cache, retry, auto-parallel.
Source
quamap — transpilation metrics
aq_affinity/quamap
QuaMap: circuit transpilation metrics + qubit layout enumeration + SABRE-style routing cost.
Source
education
aq_affinity/education
Curriculum + tutorial registry — hello-quantum, VQE by hand, QAOA max-cut, molecular-VQE walkthrough.
Source
research — paper tracker
aq_affinity/research
Research publications tracker — mirrors the SandboxAQ Research page, arXiv + preprint feeds.
Source

Interactive dashboards in aq_platform.html

deep links
🦠 Antibody Design
📊 PK-PD Simulator
📈 NMR Spectrum
⚙️ Transition State
🏥 Radiomics
⚛️ IBM Qiskit Runtime
🎮 NVIDIA Ising
🧠 LQM Benchmarks