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Quantumbind® Platform

Fast and Accurate Small Molecule Discovery

QuantumBind® is an integrated platform for small molecule discovery and potency optimization. It's the fastest and most accurate of its kind thanks to years of development in AI, machine learning, quantum chemistry and molecular simulations.
Acellera ACEMD preview code
Generative chemistry

Quickly Find the Right Molecules

Our chemistry large-language models (LLMs) and reinforcement learning workflows efficiently find small molecules that meet the potency, selectivity, bioavailability, and toxicity requirements, all within desirable chemical spaces. Our models are specially optimized for low-data scenarios.

Learn more about ACEGEN, our reinforcement learning toolkit for generative drug design:

Github Repository | Publication.

Simulations You Can Trust

We are world leaders in statistical mechanics and high-performance computing, having developed leading solutions such as ACEMD, OpenMM, and numerous derivative applications. QuantumBind® features novel neural network-based potentials (NNPs) trained from millions of QM data points, delivering simulations with experimental-level accuracies.
Active Learning

ML-driven Optimization

In low-data scenarios, every new data point counts. Our generative predictors improve with every discovery cycle as we feed them tens to thousands of new simulation and experimental data points. With just a few cycles, we can achieve significant efficiency improvements in individual targets.
High-performance Secure COMPUTIng

Your Data is Secure With Us

We manage our own highly secure computing infrastructure, equipped with dozens of top-tier GPUs and large-scale storage and database capabilities. We constantly optimize the infrastructure down to the smallest detail, thus guaranteeing maximum efficiency and security. We are ISO 27001 certified.

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