The quiet engine behind thoughtful discovery.
NovoMCP is the computational chemistry engine for drug discovery and materials science. One engine. Two domains. Four surfaces — chat, desktop, browser, and editor.
The bottleneck is never the science. It is everything between the science.
Drug discovery does not take twelve years because of science. It takes twelve years because of everything between the science — every handoff between tools, every compliance check deferred to the end, every week waiting for compute.
The engine pre-computes the knowable, automates the routine, and keeps the researcher at the center of every decision that matters. It checks in when judgment is needed. The rest runs.
Four principles, held to.
The engine is the product
Models are interchangeable; the engine they run on is not. We build the layer that stays when the model is swapped — 122M pre-enriched compounds, validated tools, compliance, and an audit trail.
Pre-compute the knowable
Most of discovery is waiting — for a queue, a compliance check, a handoff. We pre-compute what can be known in advance so the assistant answers in milliseconds, not job queues.
Keep the researcher at the center
The funnel runs autonomously but checks in when judgment is needed. Human-in-the-loop is not a fallback; it is where the science happens.
State the gaps
SOC 2 not started, formal validation not started, weaker prediction on oncology and CNS. We publish the boundary of what we can do — it is what makes the rest credible.
NovoMCP is operated by Quant NexusAI Inc. Products: Novo (cloud platform) and Novo Compute (GPU and quantum compute).
Build on the engine, not around it.
NovoMCP is open to a small group of PIs, postdocs, and research engineers. Tell us what you are working on.