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Our Technology Stack

Powering Quantum Drug Discovery with Cutting-Edge Tools

Our Technology Stack

Discover the tools and frameworks that drive Astra Vida’s quantum-powered drug discovery platform.

Quantum Computing

We leverage quantum computing frameworks to simulate molecular interactions with unprecedented accuracy.

  • PennyLane: For variational quantum eigensolver (VQE) simulations of molecular Hamiltonians.
  • Qiskit: For quantum circuit design and hybrid quantum-classical algorithms.
  • Cirq: For optimizing quantum circuits tailored to drug discovery tasks.

import pennylane as qml
from pennylane import numpy as np
from pennylane.optimize import NesterovMomentumOptimizer

# Simplified Molecular Hamiltonian
coeffs = [-0.5, 0.3, 0.2]
terms = [qml.PauliZ(0), qml.PauliX(1), qml.PauliY(0) @ qml.PauliY(1)]
H = qml.Hamiltonian(coeffs, terms)

dev = qml.device("default.qubit", wires=2)

@qml.qnode(dev)
def circuit(params):
    qml.templates.StronglyEntanglingLayers(params, wires=[0, 1])
    return qml.expval(H)

layers = 2
params = np.random.random([layers, 2, 3])
opt = NesterovMomentumOptimizer(stepsize=0.1)
for i in range(50):
    params = opt.step(circuit, params)
    if i % 10 == 0:
        print(f"Step {i}: Energy = {circuit(params):.6f} Hartree")
                                        

🔍 Simulates molecular energy for drug binding affinity.

🔍 Visualizes a sample molecule structure (simplified).

AI & Machine Learning

Our AI/ML pipelines optimize lead compounds and predict drug-target interactions with high accuracy.

  • TensorFlow: For deep learning models in drug property prediction.
  • PyTorch: For flexible neural network architectures in QML integration.
  • Scikit-learn: For classical ML algorithms in data preprocessing and clustering.

Visualization Tools

We use advanced visualization tools to model and explore molecular structures interactively.

  • 3Dmol.js: For web-based 3D molecular visualizations (as shown above).
  • Matplotlib/Seaborn: For plotting simulation results and data analysis.
  • Plotly: For interactive dashboards in molecular explorer tools.

Cloud & APIs

Our platform is built on scalable cloud infrastructure with robust API support for global collaboration.

  • AWS/GCP: For scalable computing and storage of quantum and AI workloads.
  • FastAPI: For real-time, web-based API endpoints for drug screening.
  • Docker: For containerized deployment of simulation pipelines.

Ready to Explore Our Technology?

Access our API or dive into our documentation to integrate Astra Vida’s quantum drug discovery tools into your research.