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Big news from Boltz today: we’re launching Boltz Lab, a new platform with new small-molecule + protein design agents, announcing Boltz PBC and a $28M seed round, and sharing a multi-year partnership with Pfizer. More below! 🚀
GIF
Gabriele Corso
1,957 posts
Gabriele Corso
@GabriCorso
- Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with @jeremyWohlwend, @pas_saro and an amazing team at MIT and Genesis Therapeutics. A thread!
GIF - 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… 🤗🚀
00:00 - I'm defending my PhD thesis tomorrow in the Stata building at MIT (4th floor, Star room) from 1 to 2 pm ET! I’ll be sharing the progress we’ve made over the past few years in modeling biomolecular interactions. Come by if you’re around — everyone is welcome!
- My seminar on ML in Structure-Based Drug Discovery at the MoML Summer School is now on YouTube youtube.com/watch?v=0EmYfN… Giving this class had a particular significance for me as MoML is dedicated to the memory of Octavian Ganea an amazing friend who introduced me to this topic 🙏
- Excited to share DiffDock, new non-Euclidean diffusion for molecular docking! In PDBBind, standard benchmark, DiffDock outperforms by a huge margin (38% vs 23%) the previous state-of-the-art methods that were based on expensive search! arxiv.org/abs/2210.01776 A thread! 👇
- New paper!🤗 Do all your samples from Stable Diffusion or Dall-E look very similar to each other? It turns out IID sampling is to blame! We study this problem and propose Particle Guidance, a technique to obtain diverse samples that can be readily applied to your diffusion model!
- 🚀 Excited to release a major update to the Boltz-1 model: Boltz-1x! Boltz-1x introduces inference-time steering for much higher physical quality, CUDA kernels for faster, more memory-efficient inference and training, and more! 🔥🧵
- Amazing turnout for our Boltz-2 seminar at MIT with more than 400 people showing up in person! Thank you everyone for coming and for the great discussions!
- Thrilled to finally see BoltzGen, our new state-of-the-art all-atom binder design model, coming out fully open-source after a very extensive experimental validation with many top academic and industry labs! 🧬 The diversity of the experiments is unprecedented, spanning binder
- New paper! Torsional Diffusion for Molecular Conformer Generation!! - novel toroidal diffusion & score model - 1st ML method to outperform SOTA cheminformatics tools - 100x faster than previous diffusion models - 1st generalizable Boltzmann generator arxiv.org/abs/2206.01729 👇
- Great to finally be able to share our work on Subspace Diffusion Generative Models accepted at #ECCV! arxiv.org/abs/2205.01490 Generalizable technique to improve the performance & speed up diffusion models by restricting the diffusion via projections onto subspaces + insights 👇
- Generative models are necessary to fully capture uncertainty and conformational flexibility of protein structures, but how can we build such models? At the ICLR MLDD workshop, we'll present EigenFold, work led by Bowen Jing with undergrad students Ezra Erives and @peterpaohuang!
GIF - 📢 Call for proposals: Boltz small-molecule design collaboration! 🧬 Can we help design your ideal molecule? Can you help us improve our open-source models? Please reach out or share with scientists you know! More details below! It has been great to see the level of excitement
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