Software

The Extreme-scale Electronic Structure System
(EXESS)

The Extreme-scale Electronic Structure System (EXESS) is a high-performance computational quantum chemistry software package and winner of the 2024 ACM Gordon Bell Prize.

Developed entirely from scratch, EXESS leverages novel algorithms specifically optimized for Graphics Processing Units (GPUs), achieving unprecedented speed, scalability, and power efficiency in quantum molecular modelling and simulations.

Current benchmarks demonstrate that quantum chemistry methods implemented in EXESS significantly outperform all existing state-of-the-art multi-core CPU and GPU software, setting new standards for computational performance and energy efficiency.

EXESS is currently being deployed on leading global supercomputing platforms. You can join the waitlist for early access here: https://exess.qdx.co.

Coming Soon ...

Rush

Rush is an AI-operated virtual drug-design platform that turns high-level goals into executable studies.

The platform orchestrates high-accuracy physics (including quantum where needed) and machine-learning models at cloud and supercomputer scale, then ranks candidates with clear rationale and uncertainty.

A conversational AI co-pilot—Walter—plans runs, launches them, and assembles decision-grade reports, figures, comparisons, and citations—so teams can move from ideas to qualified leads faster.

Rush is browser-based, secure, and built for covalent and non-covalent programs alike, making state-of-the-art simulation usable day-to-day without HPC expertise.

You can access Rush here: https://rush.cloud/