What's new in the Chembricks Virtual Lab

The Virtual Lab is the chat workspace on top of the Chembricks engine: you ask in plain language, and the agent runs real quantum chemistry simulations and ML models, then shows you where every number came from. Here is what has landed recently.

Four demo workflows, end to end

The homepage now walks through four complete sessions, each one a real problem worked from question to validated answer:

• Finding a ligand that grabs copper but not iron, ranked by simulated binding preferences.
• Designing the most water soluble molecule for a target property.
• Profiling a drug candidate for properties, drug likeness, and safety.
• Computing IR and 13C NMR spectra for a set of molecules.

Every workflow follows the same loop: the cognition layer proposes candidates, physics validation eliminates what cannot survive, and only valid candidates advance.

IR and 13C NMR spectra prediction

The newest addition to the toolkit: ask for spectra and the Lab computes them for you. IR spectra come from physics based simulation, and carbon 13 NMR shifts from ML models trained on quantum chemistry data, overlaid across molecules so band positions and shifts compare directly.

Every number has provenance

Results in the Lab are not just numbers. Each value is labeled with the method that produced it, so you can tell a semi empirical simulation from an ML prediction at a glance, and trace any claim back to its source before it informs a decision.

Try it

The Virtual Lab is in beta. Request access and you can run these workflows yourself, in the chat or through the MCP/API with your own agents.