Quantum · VQE · q-routed conductor · /v1/molecule

Ground-state energy, then 10,000 candidates.

One job: compute a molecule's ground-state energy with the Variational Quantum Eigensolver, then virtually screen a compound library for binding to your target. The early-discovery pass that takes a CRO six weeks.

Screen throughput
10k → 4 hrs
6 weeks of CRO bench screening, done in an afternoon.
Method
VQE
Variational Quantum Eigensolver · ibm_fez / boston / pittsburgh.
Every job
FDA-ready
Sealed to WORM · 21 CFR Part 11 record from creation.
Classical DFT / wet-lab
  • DFT approximates correlation energy
  • Wet-lab screen: weeks per target
  • Documentation backfilled before audit
VQE · EpochCore
  • Variational ground-state energy on hardware
  • 10k compounds in ~4 hrs
  • Sealed at creation — no backfill
Run it

Simulate & screen.

Register a molecule, run VQE for its ground-state energy, then screen a library against a target. With a key it hits the live /v1/molecule solver; without one it shows representative VQE output so you can see the result shape.

Molecule · register → simulate-vqe → screenPOST /v1/molecule/:id/simulate-vqe
Representative output runs locally · live VQE needs a key 

      

    

  


  

    
SDK

    
Register, simulate, screen.

    
from epochcore_app_primitives import Client
with Client(api_key="...") as c:
    m = c.molecule.register(name="Caffeine", formula="C8H10N4O2", smiles="CN1C=NC2...",
                           atoms=24, electrons=102, molecular_weight=194.19)
    vqe = c.molecule.simulate_vqe(m["molecule_id"], backend="ibm_fez")
    hits = c.molecule.screen(target_id, library_size=10000, top_k=6)
    # vqe["ground_state_energy"], hits["candidates"] — sealed