Happy New Year 2026 After 6 weeks of focused work, I successfully deployed a production-grade molecular docking pipeline  (AutoDock Vina + RDKit/OpenMM stack) to Google Cloud Run , backed by Google Cloud Storage  and exposed through a clean API. This is a must-have for anyone who needs to dock compounds at scale without GPUs or Enterprise Hardware, or who uses Kubernetes and/or a DevOps team! Yes, this was built without : A DevOps team Kubernetes Persistent VMs GPUs Enterpris

I’ve been working my ass off on this for almost a year now. Next November 7th will be the one-year mark, and somewhere past 3,500 hours  I stopped counting. Day after day, night after night, I’ve been building something that I hope will actually help people, animals, anyone who ever has to hear the word “cancer” in a doctor’s office. I’m not obsessed with “beating” the big expensive licensed platforms. That’s not the game I’m playing. Using modern tools, I’ve been able to bu

Molecular Docking Software Design from a Computer Programmer’s Perspective It took me 7-8 months to build a working drug discovery system...

choose Compound Count After months of tense work, countless late nights interacting with my “farm” of computers, and real quantum hardware (USB and PCIe QRNG devices), I’ve built something rare: a fully functional, quantum-assisted drug discovery infrastructure . We’re talking: AutoDock Vina containers Automated protein preparation orchestration GCS (Google Cloud Storage) workflows Cloud-run ready pipelines This isn’t a “simulation of a simulation.” This is production-grade c