This Decentralized AI Could Revolutionize Drug Development

Forbes

14-05-2025

One of the most promising advancements in drug discovery isn't coming from big pharma — it's emerging from the convergence of decentralized AI and high-fidelity molecular simulations. That basically means creating faux chemical reactions on a computer while precisely measuring the results at the levels of atoms.
In April, Rowan Labs released Egret-1, a suite of machine-learned neural network potentials designed to simulate organic chemistry at atomic precision. In plain terms, this model offers 'the level of accuracy from national supercomputers at a thousand to a million times the speed,' Rowan Labs Co-founder Ari Wagen said on Zoom. And they've open-sourced the entire package.
But the real acceleration comes from Rowan's partnership with subnet 25 of the decentralized AI protocol Bittensor, called Macrocosmos. It's an unlikely yet potent collaboration — Rowan's high-accuracy synthetic data generation, now powered by a decentralized compute layer, could drastically reduce the cost and time to discover new therapeutic compounds and treatments.
At the heart of Rowan's work is the idea of training AI neural networks not on scraped web data, but on physics in action — specifically, quantum mechanics. 'We build synthetic datasets by running quantum mechanics equations,' Wagen explained. 'We're training neural networks to recreate the outputs of those equations. It's like Unreal Engine [a leading 3D modeling app], but for simulating the atomic-level real world.'
This isn't theory. It's application. Rowan's models can already predict critical pharmacological properties — like how tightly a small molecule binds to a protein. That matters when trying to determine if a potential drug compound will actually work. 'Instead of running experiments, you can run simulations in the computer,' Wagen said. 'You save so much time, so much money and you get better results.'
To generate the training data for these models, Rowan used conventional quantum mechanical simulations. But to go further — to make the models more generalizable and robust — they need more data. That's where Macrocosmos comes in.
'We've spent the past year trying to incentivize better molecular dynamics,' said Macrocosmos' Founding Engineer, Brian McCrindle. 'The vision is to let Rowan spin up synthetic data generation across our decentralized compute layer — at fractions of the cost of AWS or centralized infrastructure.'
The advantage isn't just cost — it's scale, speed and resilience. 'If we can generate the next training dataset in a month instead of six, the next version of Egret will come out twice as fast,' McCrindle added.
The stakes are enormous. With the right volume and variety of high-quality data, Rowan hopes to build 'a model of unprecedented scale that can simulate chemistry and biology at the atomic level,' Wagen said. That's not hyperbole — it's a strategy to compress the drug discovery timeline by years and open the door to faster cures for rare diseases and more effective preclinical toxicity testing.
And it doesn't stop at human health. Rowan is already working with researchers tackling carbon capture, atomic-level manufacturing and even oil spill cleanup using this technology. 'We can predict how fast materials break down, or optimize catalysts to degrade pollutants,' said Rowan Co-founder, Jonathon Vandezande, a materials scientist by training.
Of course, synthetic data raises the question of reliability. Wagen was clear: 'The synthetic data we generate is more accurate than what you'd get from running a physical experiment. Real instruments have worse error bars than our quantum mechanical approximations.'
And unlike earlier failures like IBM Watson Health, Rowan posts all model benchmarks publicly. 'You can see exactly where they perform well—and where they don't,' he said.
So what's next? Within a year, both teams aim to release a new peer-reviewed paper demonstrating how decentralized compute generated the next generation of chemical simulation models. 'This partnership lets us take what would have been a six-figure cloud bill and decentralize it,' McCrindle noted. 'That's the promise of decentralized science.'
It's also a compelling proof point for Bittensor, which now supports over 100 subnets tackling everything from international soccer match predictions to AI deepfake detection. But for McCrindle, the vision is simpler: 'Can we incentivize any kind of science? That's always been the question.'
With Egret-1 and Macrocosmos' decentralized AI platform — the answer looks increasingly like a yes.