Frame-based Equivariant Diffusion Models for 3D Molecular Generation
1. A new paradigm for 3D molecular generation has been proposed, achieving deterministic E(3)-equivariance while allowing flexible backbone architectures. This approach decouples symmetry handling from the main…
2024 #NobelPrize laureate in chemistry David Baker has succeeded with the almost impossible feat of building entirely new kinds of proteins.
In recent years, one incredible protein creation after the other has emerged from Baker’s laboratory. They range from new nanomaterials…
Our Chief Technology Officer, @SergeiIakhnin will be opening @BioTechX_ EU Congress with a keynote at 9am CEST on Monday, 6 October. AI is already helping us to understand disease like never before, but where are we going next? Sergei will explore a future where applying…
1/ 🚀 Introducing AIDO.StructureDiffusion:
A generative model for structural protein design—enabling high-quality, controllable generation of monomers, complexes, and antibodies.
🧵
RFdiffusion2 is now on Github under the RosettaCommons umbrella.
Developers from the IPD are working with the Rosetta Commons Devel Team to get the inference code up and running in its new home.
github.com/RosettaCommons…
Nice!
SESAME: OPENING THE DOOR TO PROTEIN POCKETS
1. SESAME is a novel generative model that efficiently predicts protein conformational changes from apo to holo states, addressing a key challenge in drug discovery. Traditional methods like molecular dynamics are computationally…
Way too many people think that AlphaFold "solved" ML for proteins.
It didn't.
It did revolutionize protein structure prediction, but that’s just one part of a much bigger puzzle.
This is Part 1 of a series on what AlphaFold did (and didn’t) solve—and what comes next. ⬇️
AI-driven protein design | Review @geochurch@natrevbioeng
- "Central to this Review is a comprehensive and actionable roadmap for designers, providing step-by-step guidance on how to integrate state-of-the-art AI tools into protein design workflows, including tools for…
Wow, Google built an AI system to help scientists write expert-level empirical software.
The system uses a Large Language Model (LLM) and Tree Search (TS) to systematically improve the quality metric and intelligently navigate the large space of possible solutions.
The system…
We’re excited to host the AI & ML for Healthcare Summer School next week!
Over 20 leading speakers + global participants will join us for a week of talks & discussion at the frontier of AI in medicine.
Grateful to @AstraZeneca, @GSK & all involved!
Registrations still open!
The possibilities for AI-powered protein design are endless! In this case study we show how we used BindCraft to engineer a programmable maltose biosensor from scratch, including wet lab validation at Adaptyv of course.
We envision a future where every biologist can make their…
This is cool work by @gujral_onkar from @lab_berger - an interpretable approach to protein language models that uncovers biologically relevant features at both the protein and amino acid levels. pnas.org/doi/10.1073/pn…
This is cool work by @gujral_onkar from @lab_berger - an interpretable approach to protein language models that uncovers biologically relevant features at both the protein and amino acid levels. pnas.org/doi/10.1073/pn…
Really cool case study of what you can do now with AI-based protein design when you combine it with fast wet lab validation. Two of our interns made a novel protein biosensor from scratch in just a few weeks, including wet lab validation!
Really cool case study of what you can do now with AI-based protein design when you combine it with fast wet lab validation. Two of our interns made a novel protein biosensor from scratch in just a few weeks, including wet lab validation! https://t.co/8QzEoGowxM
🚀 Thrilled to share a preview of Biomni-R0 — we trained the first RL agent end-to-end for biomedical research.
➡️ nearly 2× stronger than its open-source base
➡️ >10% better than frontier closed-source models
➡️ Scalable path to hill climb to expert-level performance
🔗…
Congratulations to our Chief Scientific Officer, @MilesCcc, who has been featured in the @TIME 100 AI list!
Miles’ experience at the forefront of drug discovery is instrumental in our work developing a generalisable AI drug design engine and tackling targets that have long been…
The bacterial flagellum looks like a simple tail, or whip.
But it’s actually a rotating motor, and perhaps the most sophisticated protein complex nature has ever evolved.
In e. coli, these motors are capable of astonishing speeds; about 15,000 rpm. (The world record, according…
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