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Learn more about Boltz-2, the new open source AI model from MIT and Recursion capable of predicting protein binding affinity with unprecedented speed, scale and accuracy. ▪️ Boltz-2 is the first model to combine structure and binding affinity prediction, approaching the accuracy of physics-based free energy perturbation (FEP) calculations... while being over 1,000 times faster and less computationally expensive. 💥 The model addresses a critical bottleneck in small molecule drug discovery. ▪️ A powerful tool built on novel machine learning: “By predicting both molecular structure and binding affinity simultaneously with unprecedented speed and scale, Boltz-2 gives R&D teams a powerful tool to triage more effectively and focus resources on the most promising compounds,” says Najat Khan, PhD, Chief R&D Officer and Chief Commercial Officer at Recursion. ▪️ The added power of open source: “Because Boltz-2 is open-source, including its training code, scientists can easily adapt it for specific types of molecules, making it even more powerful as a tool to accelerate discovery," says Regina Barzilay, PhD, MIT School of Engineering Distinguished Professor for AI and Health, AI faculty lead at MIT Jameel Clinic for AI & Health and MIT CSAIL principal investigator. 👉 Learn more, read the preprint, and access Boltz-2 here: 📅 Join us for live presentations, demos and discussions: 📎 MIT Presentation (Cambridge) – Monday, June 9. 📎 NVIDIA #GTC25 (Paris) – Wednesday, June 11. 📎 Molecular Machine Learning Conference - MoML (Montreal) – Tuesday, June 17.show more

Recursion

15,386 subscribers

15,593 просмотров • 1 год назад •via X (Twitter)

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Фото профиля Recursion

Recursion1 год назад

Learn more and explore Boltz-2 here:

Фото профиля UserInterface

UserInterface2 лет назад

Unveiling the Future of Prompt Engineering for Better AI Interactions #tech

Фото профиля Helmer

Helmer1 год назад

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Excited to unveil Boltz-2, our new model capable not only of predicting structures but also binding affinities! Boltz-2 is the first AI model to approach the performance of FEP simulations while being more than 1000x faster! All open-sourced under MIT license! A thread… 🤗🚀

Excited to unveil Boltz-2, our new model capable not only of predicting structures but also binding affinities! Boltz-2 is the first AI model to approach the performance of FEP simulations while being more than 1000x faster! All open-sourced under MIT license! A thread… 🤗🚀

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Here's how to predict binding of tens or hundreds of small molecules to protein assemblies using Boltz 2 in ChimeraX. Accuracy depends on how similar the ligands and binding pockets are to existing experimental structures.

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Boltz-2 was released recently. It is an Open Source protein-ligand co-folding model, which means it can predict the structure of a protein along with the ligand. It has various applications from drug discovery to protein design. I thought why not make a OSS web app for it.

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