Molecule-Gen Case Study: Quantum Drug Discovery at Scale

Company Overview

Organization: EpochCore LLC

Industry: Pharmaceutical Technology / Quantum Computing

AWS Partner ID: S-0084812

Solution: MoleculeGen - Hybrid Quantum-Classical Molecular Simulation Platform

Business Challenge

Traditional drug discovery faces critical computational limitations that directly impact pharmaceutical development:

• Time Constraints: 12-15 year average development timeline from discovery to market
• Cost Barriers: $2.6 billion average cost per approved drug (Tufts CSDD)
• High Failure Rate: 90% of drug candidates fail in clinical trials
• Computational Bottlenecks: Classical methods scale poorly (O(N³) to O(N⁷)) for molecular energy calculations
• Conformational Complexity: A 30-atom molecule has ~10²⁰ possible conformations to explore

Solution Architecture

EpochCore developed MoleculeGen, a production-grade quantum drug discovery platform that combines:

Quantum Computing Infrastructure

• 2,999 Total Qubits: Across 15 IBM Quantum backends (Condor, Heron r2, Eagle r3 generations)
• Flagship Systems: IBM Fez (1,121 qubits), IBM Marrakesh (156 qubits), IBM Kyiv (156 qubits)
• Quantum Algorithm: Variational Quantum Eigensolver (VQE) for molecular ground state energy calculation