Thanks for the shout out Victor! Great talk! 🤗

💣 Introducing gRNAde, a geometric deep learning pipeline for 3D RNA inverse design conditioned on multiple backbone conformations. "Multi-State RNA Design with Geometric Multi-Graph Neural Networks" PDF: arxiv.org/abs/2305.14749 Code: github.com/chaitjo/geomet…

Super happy to be (re)joining the gang Prescient Design as an ML Scientist 🥳

New blog post! 🔬 An introduction to generative modelling for small molecule drug design with diffusion models 🧬 Generative modelling for molecular design of all kinds has been gaining significant attention recently (1/7) medium.com/@cch57/explori…

"Multi-state RNA Design with Geometric Multi-Graph Neural Networks" Chaitanya K. Joshi Arian Jamasb Session: ICML-Compbio-Workshop, Poster Session #2 Date: Sat, July 29 Time: 3 - 4pm HST arxiv.org/abs/2305.14749

Do NNs do drug design or are they posers? 👺 Check out our latest work!

Making my annual pilgrimage to the swamp. Get in touch if you want to talk ML+Proteins. #NeurIPS2023

Come join myself, BOjana Ranković , Samuel Stanton , Gary Tom , and Arian Jamasb at *Poster 108* from 17:00-19:00 at #NeurIPS2023 where we will be presenting GAUCHE: A library for Gaussian Processes in Chemistry! Paper: neurips.cc/virtual/2023/p… Code: github.com/leojklarner/ga…

Internship opportunity 🤓 - work with us on generative AI for antibody design Apply here: careers.roche.com/global/en/job/…

You want to use stochastic calculus to improve diffusion models? You want the fruits of your work to be tested in a wet lab? You want to float down the Rhine to work? Then, apply for our internship in Basel: careers.roche.com/global/en/job/…

Q: What does it take to outperform AlphaFold(-Multimer) in estimating the accuracy of predicted 3D protein structures? A: Geometric graph neural networks + pre-training on the AlphaFold Protein Structure Database Paper: onlinelibrary.wiley.com/doi/10.1002/pr… Code: github.com/BioinfoMachine…

We're excited to have 4 papers accepted at #ICML2024! 1⃣ "Structure-based drug design by denoising voxel grids" Pedro O. Pinheiro, Arian Jamasb, Omar Mahmood, @vishnusresht, Saeed Saremi (Preprint coming soon!)

I am happy to share our new ICML work, a new score-based generative model for molecules conditioned on protein structures. arxiv.org/abs/2405.03961 (below is an example of a single-chain generating ligands)

Super happy to share some recent work with fantastic collaborators 🥳

Check out our review on molecular generative models out in Nature Machine Intelligence! nature.com/articles/s4225… The first molecular generative model for small molecule design was published in 2016. Since then, there has been a surge of works tackling this problem.

We're excited to share this new review from Arian Jamasb and co-authors Yuanqi Du, Jeff Guo, 符天凡, Charlie Harris, Yingheng Wang, Chenru Duan, Pietro Lio', Tom Blundell, and Philippe Schwaller (he/him) , now out in Nature Machine Intelligence, on the current state-of-the-art in

Highlighting our review on generative molecular design again to share that we are continuing to compile literature examples of experimentally validated small molecules! github.com/GuoJeff/genera… This repo will be continually updated for an up-to-date reference resource!

🧬🤖 Introducing RNA-FrameFlow –– an unconditional generative model for 3D RNA backbone design! 📑: arxiv.org/abs/2406.13839 🧰: github.com/rish-16/rna-ba… Our method generates ≥ 40% self-consistent *all-atom* RNA backbones that are globally and locally realistic 💪🏻 1/9

See you tomorrow at 10am onwards at Poster 616: gRNAde - our Generative-AI based RNA inverse design toolkit + stories of how it actually works in experimental wet labs! ICLR 2026 Arian Jamasb Charlie Harris Simon Mathis Pietro Lio' Rishabh Anand (in SF)