HTuo Molecule

The Unique Advantages of AtomForge

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Leading Accuracy

Best-in-class simulations of drug-target interactions produce fewer false positive/negative results. AtomForge saves time and money by finding the molecules that matter.

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Functional

AI-driven comprehensive parameterization makes AtomForge the most generalizable force field on the market. AtomForge can reliably tackle novel therapeutic targets/strategies in developing fields without relying on training data.

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Flexible

AtomForge can be run in “fast mode” or “maximum accuracy” mode. “Fast mode” driven drug discovery provides results that meet or exceed industry staple free energy methods, yet require only a fraction of the computational cost.

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A Modular Approach to Suit Your Needs

Atomforge’s modular approach is designed to accommodate the fluctuating needs and project timelines of the industry.
“Fast mode” deploys our efficient high-throughput method that can scale up to address today’s large virtual libraries for drug screening. “Maximum accuracy” mode deploys our custom free energy method, providing data of unprecedentedly high-quality for drug lead optimization.

HTuO Posters ACS 2024

The HTuO team attended ACS Fall 2024 conference and presented two posters on AtomForge. Please download them if you would like to learn more about us.

Poster #1

AtomForge: Advances in the development of a novel polarizable and reactive force field.

Poster #2

AtomForge: A reactive & polarizable force field for multi-scale simulations of small molecules in drug discovery.

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