Agents propose
Frontier reasoning and agentic loops.
Molecules, materials and processes.
Ground AI-generated chemistry in quantum physics.
Chembricks is the only quantum physics-based validation layer that grounds AI models, validating every generated idea before it reaches the lab or downstream AI reasoning.
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Chembricks AI MCP/API. No setup needed.
Faster
discovery
Better
optimization
Broader
coverage
Chembricks discovery engine
Generation is abundant. Verified candidates are scarce.
Chembricks turns agent proposals into computationally screened molecular candidates through fast prediction, applicability checks and selective reference calculations.
Fast property prediction
Surrogate models return property estimates in milliseconds.
Coverage and uncertainty travel with every result.
Applicability gate
Covered, low-uncertainty candidates can advance.
Uncertain or high-value candidates escalate.
Screened candidates
Leads that pass declared computational criteria.
Advance to a lab or partner for the next decision.
Customer compute substrate
Customer-controlled execution · host-CPU validation · verified tooling · data remains inside the deployment boundary
Controlled learning loop
Accepted reference results → versioned evaluation → explicitly promoted model update
Chembricks models
A bespoke model per query. Reference-calibrated estimates in milliseconds.
The system retrieves matching reference data, reports coverage and uncertainty, and routes hard cases to higher-fidelity computation.
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01
Decompose
Query molecule → 3D structure → hierarchical molecular fragments
-
02
Retrieve
Curated DFT or QMC labels for exactly those fragments
-
03
Learn
Fit a compact correction model to matching reference data
-
04
Assess and route
Coverage and uncertainty determine whether to answer or escalate
Chembricks model
Milliseconds · property estimate + coverage + uncertainty
Applicability and uncertainty gate
Within the declared domain
Answer in milliseconds
Return the estimate with its coverage and uncertainty.
Uncovered or uncertain
g-xTB
Seconds · fast physics check
DFT
Hours · reference calculation
QMC
Days · high-fidelity reference
Accepted reference results can enter a versioned, evaluated model update.
Related patent filings: US 63/831,115 and US 64/007,460.
Coverage is property-specific. Unsupported fragments are routed onward.
Abstain and route to a higher-fidelity reference calculation.
See it in action
Watch Chembricks work real problems
Metal-binding ligands, molecular design, drug profiling. Each one reasoned end to end in the chat.