Discover new molecules fast.
Like, really fast.

Built for the next generation of chemical research

Solutions

All-in-One
Discovery Platform

Powered by physics-informed machine learning models, molecular design is faster and easier than ever before. We deliver results multiple orders of magnitude faster than conventional methods. Our results are backed by DFT and lab experiments.

Explore our results from Project EQUUS →

U.S. Provisional Application No. 63/925,603

Energy
Storage

Design and develop redox-active molecules with target thermodynamic properties for next-generation battery and energy storage devices.

Updates

News & Blog

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BlogJune 2026

Introducing Project EQUUS and ALOE

For decades, chemists have faced a frustrating asymmetry: expensive compute or bench work before knowing if a molecule will behave as hoped. Meet EQUUS and ALOE: our first answer to that problem.

CMU VentureBridge '26 Fellow

Cavall Labs is honored to be selected as a CMU VentureBridge '26 Fellow, a competitive program that supports early-stage startups from Carnegie Mellon University.

EQUUS Platform API — Early Access

We are opening early access to the EQUUS Platform API, enabling research teams to integrate molecular energy predictions directly into their computational workflows.