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nQPU - Neural Quantum Processing Unit

nQPU Logo

High-Performance Quantum Computing SDK with GPU Acceleration

Rust Python License: MIT Metal


What is nQPU?

nQPU is a quantum computing platform that combines:

Feature Description
GPU Acceleration Metal-based GPU acceleration for 100x speedup
Multiple Backends State vector, tensor network, stabilizer simulation
Model QPU Research API Model Hamiltonians, exact diagonalization, Rust-backed DMRG, quenches, and parameter sweeps
Drug Discovery Quantum molecular fingerprinting & ADMET prediction
Quantum Biology Photosynthesis, enzyme catalysis, quantum coherence
Ever-Growing Library Drug design, quantum biology, finance, and more

Competitive Advantages

vs Qiskit vs Cirq vs PennyLane
✅ Native GPU (Metal) ❌ CPU only ❌ CPU only
✅ Rust core (fast) ❌ Python only ❌ Python only
✅ Drug design tools ❌ General QC only ❌ General QC only
✅ Growing tool library ❌ General QC only ❌ General QC only
✅ Real-time dashboard ❌ No dashboard ❌ No dashboard

Quick Start

Installation

# Core SDK (quantum simulation)
pip install nqpu

# With chemistry/drug design tools
pip install nqpu[chem]

# With biology tools
pip install nqpu[bio]

# With quantum trading tools
pip install nqpu[trading]

# Everything
pip install nqpu[all]

# Or from source
git clone https://github.com/robertcprice/nQPU.git
cd nqpu/sdk/python
pip install -e ".[all]"

Optional Extras

Package Install Description
Core pip install nqpu Quantum simulation, GPU acceleration
Chemistry pip install nqpu[chem] Drug design, ADMET, molecular fingerprints
Biology pip install nqpu[bio] Quantum biology, genome tools
Trading pip install nqpu[trading] Quantum volatility, regime detection, signal processing
Finance pip install nqpu[finance] QAE option pricing, QAOA portfolios, VaR/CVaR (adds matplotlib)
Web pip install nqpu[web] QKD network planning REST API (adds FastAPI + uvicorn)
All pip install nqpu[all] Everything

Basic Usage

from nqpu import QuantumCircuit, NQPUBackend

# Create a circuit
circuit = QuantumCircuit(4)
circuit.h(0)
circuit.cnot(0, 1)
circuit.cnot(1, 2)
circuit.measure_all()

# Run with GPU acceleration
backend = NQPUBackend(gpu=True)
result = backend.run(circuit, shots=1000)
print(result.counts)

Quantum Physics Research

import numpy as np
from nqpu import (
    ModelQPU,
    TransverseFieldIsing1D,
    load_entanglement_spectrum_result,
    load_loschmidt_echo_result,
    load_response_spectrum_result,
    load_ground_state_result,
    load_sweep_result,
    load_tensor_network_state,
    load_two_time_correlator_result,
    save_entanglement_spectrum_result,
    save_loschmidt_echo_result,
    save_response_spectrum_result,
    save_ground_state_result,
    save_sweep_result,
    save_tensor_network_state,
    save_two_time_correlator_result,
)

qpu = ModelQPU()
model = TransverseFieldIsing1D(
    num_sites=8,
    coupling=1.0,
    transverse_field=0.8,
    boundary="open",
)

# Ground state with observables and entanglement entropy
ground_state = qpu.ground_state(
    model,
    observables=["magnetization_z", "Z0Z1"],
    subsystem=[0, 1, 2, 3],
)
print(ground_state.ground_state_energy)
print(ground_state.observables)

# Warm-start a nearby ground-state solve from a prior tensor-network state
retuned_state = qpu.ground_state(
    TransverseFieldIsing1D(num_sites=8, coupling=1.0, transverse_field=0.9),
    initial_state=ground_state,
    observables=["magnetization_z"],
)

# Parameter sweep across a phase transition
sweep = qpu.sweep_parameter(
    model,
    "transverse_field",
    np.linspace(0.2, 1.8, 17),
    observables=["magnetization_z"],
    subsystem=[0, 1, 2, 3],
)
print(sweep.energies)
print(sweep.spectral_gaps)
print(sweep.entanglement_entropy)

# Adaptive phase-transition zoom on top of the coarse grid
adaptive = qpu.adaptive_sweep_parameter(
    model,
    "transverse_field",
    [0.2, 0.6, 1.0, 1.4, 1.8],
    observables=["magnetization_z"],
    subsystem=[0, 1, 2, 3],
    metric="spectral_gap",
    max_refinement_rounds=2,
    refinements_per_round=1,
    checkpoint_path="checkpoints/tfim_adaptive.json",
)
print(adaptive.values)
print(adaptive.refinement_history)

# Reuse a prepared state as the initial condition for a quench
quench = qpu.quench(
    TransverseFieldIsing1D(num_sites=8, coupling=1.0, transverse_field=1.1),
    times=[0.0, 0.05, 0.10],
    initial_state=ground_state,
    observables=["magnetization_z", "Z0Z1"],
    subsystem=[0, 1, 2, 3],
)
print(quench.observables["Z0Z1"])
print(quench.entanglement_entropy)

# Build correlation functions and structure factors from the same solver surface
correlations = qpu.correlation_matrix(model, pauli="Z", connected=True)
static_sf = qpu.structure_factor(model, [0.0, np.pi / 2.0, np.pi], connected=True)
dynamic_sf = qpu.dynamic_structure_factor(
    model,
    times=[0.0, 0.05, 0.10],
    momenta=[0.0, np.pi],
    pauli="Z",
    connected=True,
    initial_state="neel",
)
frequency_sf = qpu.frequency_structure_factor(
    dynamic_sf,
    frequencies=[-20.0, 0.0, 20.0],
    window="hann",
)
two_time = qpu.two_time_correlator(
    model,
    times=[0.0, 0.05, 0.10],
    pauli="Z",
    connected=True,
)
local_response = qpu.linear_response_spectrum(
    model,
    times=[0.0, 0.05, 0.10],
    pauli="Z",
    source_sites=[0, 2, 4],
    frequencies=[-20.0, 0.0, 20.0],
    window="hann",
)
spectrum = qpu.entanglement_spectrum(
    model,
    subsystem=[0, 1, 2, 3],
    num_levels=4,
)
echo = qpu.loschmidt_echo(
    model,
    times=[0.0, 0.05, 0.10],
    initial_state="neel",
)
response = qpu.linear_response_spectrum(
    two_time,
    momenta=[0.0, np.pi],
    frequencies=[-20.0, 0.0, 20.0],
    window="hann",
)
print(correlations.matrix)
print(static_sf.values)
print(dynamic_sf.values.shape)
print(frequency_sf.intensity)
print(two_time.values.shape)
print(local_response.measure_sites)
print(spectrum.eigenvalues, spectrum.entanglement_energies)
print(echo.echo, echo.return_rate)
print(response.intensity)

# Checkpoint and restore a Rust-backed tensor-network state
save_tensor_network_state(ground_state, "checkpoints/tfim_ground.json")
restored_state = load_tensor_network_state("checkpoints/tfim_ground.json")

# Save the full ground-state result manifest plus sidecar backend state
save_ground_state_result(ground_state, "checkpoints/tfim_ground_result.json")
restored_ground = load_ground_state_result("checkpoints/tfim_ground_result.json")
save_entanglement_spectrum_result(spectrum, "checkpoints/tfim_entanglement_spectrum.json")
restored_spectrum = load_entanglement_spectrum_result(
    "checkpoints/tfim_entanglement_spectrum.json"
)
save_two_time_correlator_result(two_time, "checkpoints/tfim_two_time.json")
restored_two_time = load_two_time_correlator_result("checkpoints/tfim_two_time.json")
save_response_spectrum_result(response, "checkpoints/tfim_response.json")
restored_response = load_response_spectrum_result("checkpoints/tfim_response.json")
save_loschmidt_echo_result(echo, "checkpoints/tfim_echo.json")
restored_echo = load_loschmidt_echo_result("checkpoints/tfim_echo.json")

# Save a sweep manifest with phase-diagram data and per-point metadata
save_sweep_result(sweep, "checkpoints/tfim_sweep.json")
restored_sweep = load_sweep_result("checkpoints/tfim_sweep.json")

# Long sweeps can checkpoint progress and resume later
resumable = qpu.sweep_parameter(
    model,
    "transverse_field",
    np.linspace(0.2, 1.8, 17),
    observables=["magnetization_z"],
    subsystem=[0, 1, 2, 3],
    checkpoint_path="checkpoints/tfim_resume.json",
)
resumed = qpu.sweep_parameter(
    model,
    "transverse_field",
    np.linspace(0.2, 1.8, 17),
    observables=["magnetization_z"],
    subsystem=[0, 1, 2, 3],
    checkpoint_path="checkpoints/tfim_resume.json",
    resume=True,
)
print(resumed.completed_points, resumed.is_complete)

For larger open-boundary 1D chains, ModelQPU() will use the Rust tensor-network path automatically when the optional nqpu_metal bindings are installed with maturin develop --release --features python: DMRG for supported ground-state workflows and TDVP for supported real-time quenches from product states or previously prepared tensor-network states. The same Rust path can also compress dense statevectors and dense exact-result states into MPS handles when the model is supported. Quenches can also request a single entanglement-entropy trace with subsystem=[...]; the Rust TDVP path currently supports prefix cuts that map onto one MPS bond. Rust tensor-network states can also be checkpointed to JSON and loaded back into later quench(...) calls, and full result manifests can be saved with observable data plus a backend-state sidecar for restartable research workflows. Supported product-state labels now include "all_up", "all_down", "neel", "plus_x", "minus_x", "plus_y", "minus_y", "domain_wall", "anti_domain_wall", and explicit per-site strings like "+-RL01". Rust-backed Loschmidt echo manifests also retain the evolved tensor-network state as a sidecar checkpoint. Parameter sweeps can also be saved as JSON manifests that preserve energy curves, spectral gaps, entanglement traces, solver provenance, per-point model metadata, and checkpoint progress for resumable long-running phase-diagram jobs. Rust-backed sweeps now also save per-point tensor-network sidecars so resume can warm-start the next unfinished point from the last completed point's backend state. Adaptive sweeps build on the same manifest format: the checkpoint records the evolving sweep grid, refinement metric, refinement strategy, target value when applicable, and inserted midpoints so resumed runs continue from the expanded phase-diagram scan instead of restarting from the seed grid. In addition to the default lowest-gap refinement, adaptive sweeps now support strategy="curvature" for high-curvature regions and strategy="target_crossing" with target_value=... to zoom in on observable crossings. Crossing scans now also support insertion_policy="target_linear" to place the new point at a linear interpolation estimate of the crossing, or insertion_policy="equal_spacing" with points_per_interval > 1 to split a selected interval into multiple interior samples in one refinement round. For Rust-backed sweeps, pending points are now evaluated by nearest available backend-state anchor in parameter space instead of raw index order, which reduces cold starts after adaptive grid expansion or non-prefix checkpoint restores. The same API can also build ground-state correlation matrices plus static and dynamical structure factors for X, Y, or Z spin components. Those derived measurements reuse the existing solver paths, so the Rust-backed route can accelerate them when the required one- and two-site Pauli observables are supported. Time-resolved structure-factor data can also be Fourier transformed into a frequency-domain response through ModelQPU.frequency_structure_factor(...) or the exported fourier_transform_structure_factor(...) helper. This frequency-domain view is currently the Fourier transform of the time-resolved equal-time structure factor from a quench workflow, not yet a full two-time correlation-function implementation of canonical S(q, \omega). There is now also an ModelQPU.entanglement_spectrum(...) helper for reduced-density-matrix eigenvalues and entanglement energies, plus an exact-only ModelQPU.loschmidt_echo(...) helper for return amplitudes, echo probabilities, and per-site return rates, plus an exact-only two-time correlator and ModelQPU.linear_response_spectrum(...) for commutator-based response analysis on small dense systems, with optional measure_sites= and source_sites= controls to restrict the work to a selected set of lattice sites. For larger supported open-boundary 1D chains, ModelQPU.two_time_correlator(...) and ModelQPU.linear_response_spectrum(...) can also use an approximate Rust TDVP-transition path when the reference state is a Rust-backed DMRG ground state, and ModelQPU.entanglement_spectrum(...) can use the Rust tensor-network path for prefix subsystems that map to a single MPS bond. ModelQPU.loschmidt_echo(...) can also use a Rust TDVP-overlap path on the same supported 1D models when the initial/reference states are product states or Rust tensor-network backend states. The current Rust-backed model family now includes open-boundary TransverseFieldIsing1D, HeisenbergXXZ1D, and HeisenbergXYZ1D chains. ModelQPU.dqpt_diagnostics(...) can then analyze a Loschmidt trace for candidate DQPT cusps with configurable prominence and slope-jump thresholds. When a Rust tensor-network state prepared under one Hamiltonian is reused under another, ModelQPU.quench(...), ModelQPU.loschmidt_echo(...), and ModelQPU.dqpt_diagnostics(...) now require explicit initial_state_model= / reference_state_model= provenance instead of silently accepting a mismatched backend handle. The same explicit provenance rule now also applies to Rust-backed ModelQPU.two_time_correlator(...) and ModelQPU.linear_response_spectrum(...) workflows. DQPT diagnostics can also be saved and restored with save_dqpt_diagnostics_result(...) and load_dqpt_diagnostics_result(...), including a Rust backend-state sidecar when present. ModelQPU.scan_dqpt_parameter(...) now builds checkpointable parameter scans of return-rate traces and detected cusp candidates across a sweep grid. ModelQPU.adaptive_scan_dqpt_parameter(...) extends that with the same refinement controls used by adaptive phase-diagram sweeps, so scans can insert new parameter points around strong cusp-strength gradients, target crossings in candidate times, or other DQPT summary traces while remaining checkpointable and resumable after grid expansion. ModelQPU.adaptive_dqpt_diagnostics(...) does the same thing in time, refining the Loschmidt/DQPT time grid around sharp return-rate features before a parameter scan is even necessary.

Drug Discovery

from nqpu.chem import DrugDesigner, Molecule

# Design drug candidates
designer = DrugDesigner()
molecules = designer.generate_candidates(
    target="BACE1",  # Alzheimer's target
    constraints={"mw": (200, 500), "logp": (-1, 5)}
)

# Get ADMET predictions
for mol in molecules:
    print(f"{mol.smiles}: QED={mol.qed:.3f}, Lipinski={mol.lipinski}")

Quantum Trading

from nqpu.trading import (
    QuantumVolatilitySurface,
    QuantumRegimeDetector,
    QuantumSignalGenerator,
    KellyCriterion,
)
import numpy as np

# Detect market regime
prices = np.array([...])  # your price data
detector = QuantumRegimeDetector(n_qubits=4)
regime = detector.detect(prices)
print(f"Current regime: {regime.label} (confidence: {regime.confidence:.2f})")

# Generate quantum-enhanced trading signals
signal_gen = QuantumSignalGenerator(n_qubits=4)
signals = signal_gen.generate(prices, volume=volume)
print(f"Signal: {signals.direction}, Confidence: {signals.confidence:.2f}")

# Quantum-aware position sizing
kelly = KellyCriterion(n_qubits=3)
position_size = kelly.optimal_fraction(win_rate=0.65, avg_win=0.02, avg_loss=0.01)

Quantum Finance

from nqpu.finance import (
    QuantumOptionPricer, black_scholes_call,
    PortfolioOptimizer, compute_efficient_frontier,
    RiskAnalyzer, RiskConfig, quantum_var,
)

# QAE-based European call pricing vs Black-Scholes
pricer = QuantumOptionPricer(spot=100, strike=100, rate=0.05,
                             volatility=0.2, maturity=1.0)
result = pricer.price()
bs = black_scholes_call(100, 100, 0.05, 0.2, 1.0)
print(f"QAE: {result.price:.2f}  BS: {bs:.2f}")

# QAOA portfolio optimization
optimizer = PortfolioOptimizer(expected_returns, covariance,
                               risk_aversion=1.0, budget=3)
portfolio = optimizer.optimize()
frontier = compute_efficient_frontier(expected_returns, covariance, n_points=20)

See demos/quantum_finance_demo.py and demos/quantum_finance_demo.ipynb for a full walkthrough covering option pricing, portfolio optimization, VaR/CVaR risk analysis, and quantum trading signal backtesting.

QKD Network Planning API

# Start the REST API
pip install nqpu[web]
nqpu-qkd-api
# -> Swagger UI at http://localhost:8000/docs
# Or use programmatically
import requests

# Create a network and add nodes
net = requests.post("http://localhost:8000/networks").json()
nid = net["network_id"]
requests.post(f"http://localhost:8000/networks/{nid}/nodes",
              json={"node_id": "alice", "x": 0, "y": 0})
requests.post(f"http://localhost:8000/networks/{nid}/nodes",
              json={"node_id": "bob", "x": 50, "y": 0})
requests.post(f"http://localhost:8000/networks/{nid}/links",
              json={"node_a": "alice", "node_b": "bob"})

# Establish a quantum key
key = requests.post(f"http://localhost:8000/networks/{nid}/establish-key",
                    json={"node_a": "alice", "node_b": "bob",
                          "protocol": "BB84", "n_bits": 10000}).json()
print(f"Secure: {key['secure']}, QBER: {key['qber']:.4f}")

Supports BB84, E91, and B92 protocols, trusted relay paths, star/line/mesh topology generation, per-link security reports, and eavesdropper simulation.

QPU Emulator

from nqpu.emulator import QPU, HardwareProfile
from nqpu.transpiler import QuantumCircuit

# Build a GHZ circuit
qc = QuantumCircuit(3)
qc.h(0).cx(0, 1).cx(1, 2)

# Emulate on real hardware profiles
for profile in [HardwareProfile.IONQ_ARIA, HardwareProfile.IBM_HERON,
                HardwareProfile.QUERA_AQUILA]:
    qpu = QPU(profile, noise=True, seed=42, max_qubits=8)
    job = qpu.run(qc, shots=1000)
    r = job.result
    print(f"{qpu.name}: fidelity={r.fidelity_estimate:.4f}, "
          f"depth={r.circuit_depth}, runtime={r.estimated_runtime_us:.0f}us")

# Cross-backend comparison in one call
results = QPU.compare(qc, shots=1000, seed=42)

Wraps trapped-ion, superconducting, and neutral-atom backends behind a single QPU interface with 9 real hardware profiles (IonQ Aria/Forte, Quantinuum H2, IBM Eagle/Heron, Google Sycamore, Rigetti Ankaa-2, QuEra Aquila, Atom Computing). Supports noisy/ideal modes, statevector extraction, and automatic Toffoli decomposition (native on neutral-atom, 6-CNOT on others).

Physics-Application Bridges

from nqpu.bridges import IsingCorrelationModel, HamiltonianVolatility
import numpy as np

# Map asset correlations to a quantum spin model
cov = np.array([[0.04, 0.02], [0.02, 0.09]])
model = IsingCorrelationModel.from_covariance(cov, names=["AAPL", "GOOG"])
print(f"Critical temperature: {model.critical_temperature:.3f}")
print(f"Systemic risk (entanglement): {model.entanglement_risk():.4f}")

# Evolve an implied volatility surface via Hamiltonian dynamics
hv = HamiltonianVolatility(n_strikes=4, coupling=0.5)
result = hv.evolve_surface(np.array([0.2, 0.3, 0.25, 0.35]), t_final=1.0)
print(f"Final vol profile: {result['final_vols']}")

Seven bridge modules connecting the physics and simulation engines to domain applications: Ising models for financial correlations, quantum walks for option pricing, Hamiltonian dynamics for volatility surfaces, phase transitions for regime detection, Lindblad master equations for bio/chem validation, game-theoretic Nash equilibria via Ising ground states, quantum auction models, QAOA vs exact MaxCut benchmarking, Lindblad volatility surface decoherence, noisy trading signals, and noise-aware VQE benchmarking across 9 hardware profiles.

Hardware Decision Engine

from nqpu.emulator import HardwareAdvisor

advisor = HardwareAdvisor()
rec = advisor.recommend([("h", 0), ("cx", 0, 1), ("ccx", 0, 1, 2)])
print(rec.best_profile.name)   # Recommended QPU
print(rec.reasoning)           # Why this hardware is optimal

Scores all 9 QPU profiles across fidelity (40%), speed (20%), capacity (15%), Toffoli efficiency (15%), and connectivity (10%). Toffoli-heavy circuits are automatically routed to neutral-atom backends with native 3Q gates. Includes a full_report() that executes the circuit on the top 3 platforms for empirical validation.

Hardware Benchmarking

# Run all 7 benchmark circuits across 3 backends (3-8 qubits)
python scripts/run_benchmarks.py

# Generate publication-quality figures
pip install nqpu[finance]  # adds matplotlib
python scripts/generate_figures.py

Compares trapped-ion, superconducting, and neutral-atom backends on Bell, GHZ, QFT, Random Clifford, Toffoli-heavy, QAOA, and Supremacy circuits. Key finding: neutral-atom backends achieve 83% entangling gate reduction on Toffoli circuits via native CCZ. See papers/hardware_benchmarking.md for the full analysis.

Architecture

nQPU/
├── sdk/
│   ├── python/nqpu/           # Python SDK — 31 packages, numpy-only
│   │   ├── core/              # Quantum state, circuits, backends
│   │   ├── metal/             # Apple Metal GPU utilities
│   │   ├── physics/           # Model QPU research API
│   │   ├── ion_trap/          # Trapped-ion hardware backend
│   │   ├── superconducting/   # Superconducting hardware backend
│   │   ├── neutral_atom/      # Neutral-atom hardware backend
│   │   ├── emulator/          # Multi-backend QPU emulator + hardware advisor
│   │   ├── transpiler/        # Circuit routing, optimization, decomposition
│   │   ├── simulation/        # Hamiltonians, time evolution, Lindblad
│   │   ├── error_correction/  # Stabilizer codes, decoders, noise models
│   │   ├── mitigation/        # ZNE, PEC, twirling, readout correction
│   │   ├── tomography/        # State/process/shadow tomography
│   │   ├── optimizers/        # Classical optimizers for variational algorithms
│   │   ├── qcl/               # Quantum circuit learning, kernels
│   │   ├── tensor_networks/   # MPS, MPO, DMRG, TEBD
│   │   ├── chem/              # Molecular simulation, drug discovery
│   │   ├── bio/               # Quantum biology (photosynthesis, tunneling)
│   │   ├── finance/           # QAE option pricing, portfolio, risk
│   │   ├── trading/           # Quantum volatility, regime detection, signals
│   │   ├── games/             # Game theory, combinatorial optimization
│   │   ├── qkd/               # QKD protocols (BB84, E91, B92)
│   │   ├── qrng/              # Quantum random number generation
│   │   ├── benchmarks/        # Cross-backend benchmarking
│   │   ├── bridges/           # Physics-application integrations
│   │   ├── web/               # FastAPI QKD network planning API
│   │   ├── calibration/       # Hardware calibration & export
│   │   ├── classical_inspired/# Classical benchmarks & linear algebra
│   │   ├── crypto/            # Blind computation, oblivious transfer
│   │   ├── dashboard/         # Cost estimator, benchmark dashboard
│   │   ├── education/         # Interactive tutorials & exercises
│   │   └── visualization/     # Bloch sphere, circuit drawing
│   └── rust/src/              # Rust core engine — 14 domain modules
│       ├── core/              # State vectors, gates, stabilizers, channels
│       ├── algorithms/        # VQE, QAOA, QPE, Shor, QSP/QSVT
│       ├── backends/          # Metal, CUDA, ROCm, pulse control
│       ├── circuits/          # Optimizer, transpiler, QASM/QIR
│       ├── tensor_networks/   # MPS, PEPS, MERA, DMRG
│       ├── error_correction/  # QEC codes, decoders, magic states
│       ├── noise/             # Noise models, error mitigation
│       ├── quantum_ml/        # Kernels, transformers, NQS
│       ├── chemistry/         # Molecular simulation, drug design
│       ├── networking/        # QKD, QRNG, entropy extraction
│       ├── physics/           # Walks, topology, thermodynamics
│       ├── applications/      # Finance, logistics, games
│       ├── measurement/       # Tomography, QCVV, shadows
│       └── infra/             # Traits, FFI, benchmarks, TUI
├── tests/                     # 1400+ pytest tests (22 test files)
├── demos/                     # Jupyter notebooks & demo scripts
├── papers/                    # Research writeups
├── scripts/                   # Benchmark & figure generation scripts
└── docs/                      # Documentation & guides

Features

Quantum Backends

Backend Qubits Speed Best For
State Vector 30+ Fast General circuits
Tensor Network (MPS) 100+ Very Fast Shallow circuits
Stabilizer 1000+ Ultra Fast Clifford circuits
GPU (Metal) 30+ 100x faster Apple Silicon

Chemistry Tools

  • Molecular Fingerprints: ECFP4/6, MACCS, Atom Pair, Topological Torsion
  • ADMET Prediction: Absorption, Distribution, Metabolism, Excretion, Toxicity
  • Drug-likeness: Lipinski Ro5, QED score, Synthetic Accessibility
  • Similarity Search: Tanimoto, Dice coefficients

Biology Tools

  • Quantum Coherence: Photosynthetic complex simulation
  • Enzyme Catalysis: Tunneling rate calculations
  • Genomic Analysis: DNA/RNA quantum encoding

Benchmarks

Operation CPU GPU (Metal) Speedup
20-qubit random circuit 1.2s 12ms 100x
30-qubit QFT 4.5s 45ms 100x
1000-shot sampling 0.8s 8ms 100x
Molecular fingerprint 50ms 0.5ms 100x

Documentation

Contributing

See CONTRIBUTING.md for guidelines.

License

MIT License - See LICENSE for details.

Citation

@software{nqpu2025,
  title = {nQPU: Neural Quantum Processing Unit},
  author = {Entropy Research},
  year = {2025},
  url = {https://github.com/robertcprice/nQPU}
}

Built with ❤️ by Entropy Research

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Neural Quantum Processing Unit - High-performance quantum computing SDK with GPU acceleration

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