1 pointby isurfclouds4 hours ago1 comment
  • isurfclouds4 hours ago
    QuantumForge is a web platform for running quantum chemistry simulations. Search 100M+ molecules from PubChem by name, or enter custom structures via SMILES/XYZ coordinates. Get ground state energies using quantum simulation methods with classical Hartree-Fock baselines for comparison.

    Stack: FastAPI, React, PySCF, Qiskit, IBM Quantum (156 qubits), Amazon Braket, RDKit, PostgreSQL, Redis/Celery.

    Key features: active space (CASCI) support for large molecules, side-by-side basis set comparison, PDF/JSON/CSV export, shareable result URLs, automated arxiv paper scanning.

    The premise is making quantum chemistry accessible without local installations. Whether that's a real need or everyone already has PySCF/Gaussian set up locally is the question I'm trying to answer.

    Free during beta: https://quantumforgelabs.io