Excited to share our new preprint 🥳🥳 Implicit guidance with PropEn: Match your data to follow the gradient 🔗 arxiv.org/pdf/2405.18075 Joint work with Andreas Loukas, Kyunghyun Cho, VGligorijevic at @prescientdesign & Genentech

It's been quite the journey, from conception to wet lab validation, but we can finally share some of our results. ⚛️🤖🔬 Excited to share these findings

Our small molecule team at Prescient Design within Genentech is hiring for two Machine Learning Scientists. Come work with us to impact drug discovery through computation and machine learning! roche.wd3.myworkdayjobs.com/ROG-A2O-GENE/j… roche.wd3.myworkdayjobs.com/ROG-A2O-GENE/j… Vishnu Sresht

We’re hiring again! If you’re in to the idea of using AI+Chemistry to design new medicines, apply! If you just want to know more, shoot me a message. roche.wd3.myworkdayjobs.com/ROG-A2O-GENE/j… roche.wd3.myworkdayjobs.com/ROG-A2O-GENE/j…

Fantastic opportunity...

🚨 Workshop Alert 🚨 Dive into Gen AI and its applications, from physics to drug design, with a top-notch line-up of speakers! 🚀 Join us in Bonn this fall! 🇩🇪 Register now: indico.hiskp.uni-bonn.de/event/443/page… #AI4Science #Workshop #UniBonn #GenerativeModels

Fantastic workshop coming up...

Machine Learning enhanced optimization of Quantum Circuits strikes back ☄️ Beyond excited to present our new work on Adaptive Shot Control for VQEs using Gaussian Processes at ICML Conference 🎉 Check out the paper now openreview.net/pdf?id=dSrdnhL… #icml2024

Great collaborative work with Lorenz Richter!

We have a few spots left! Register now at indico.hiskp.uni-bonn.de/event/443/ 14 technical talks 3 keynotes 3 panel discussions 1 poster session and much more... Including speakers like (in random order) pan tom, Jonas Köhler, Michael Albergo, Lei Wang, Lorenz Richter, and many more!

JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling Prescient Design • JAMUN introduces a generative model based on Walk-Jump Sampling (WJS) to efficiently generate molecular conformational ensembles, outperforming traditional molecular

we're still hiring fresh phd level MLEs for LLMs. roche.wd3.myworkdayjobs.com/ROG-A2O-GENE/j… as well as slightly seniors (LLMs) roche.wd3.myworkdayjobs.com/en-US/ROG-A2O-… and also infrastructure MLEs roche.wd3.myworkdayjobs.com/en-US/ROG-A2O-…

My team at Prescient Design is hiring! 🎉 Keunwoo Choi, Kyunghyun Cho, and I are looking for ML engineers to develop our internal LLMs & foundation models for drug discovery. Feel free to DM or reach out to us at #neurips2024! Link: tinyurl.com/prescient-llm

We are hiring an intern on generative models for proteins for 6-12 months and typically results in publication. Find out what science is like in a bio-ml industry research lab. Bonus: float along the Rhine to work (perfectly normal commute here):tinyurl.com/3x7ef6z5

I am excited to announce that our paper on Stochastic Normalizing Flows for Entanglement Entropy has been accepted for publication in Physics Review Letters 🚀 -> arxiv.org/abs/2410.14466 Big up to Andrea Bulgarelli for his hard work and to the rest of the collaboration 👏

Our new work arxiv.org/pdf/2503.01006 extends the theory of diffusion bridges to degenerate noise settings, including underdamped Langevin dynamics (with Denis Blessing, Julius Berner). This enables more efficient diffusion-based sampling with substantially fewer discretization steps.

I will be ICLR 2025 in Singapore and I'm looking for a senior ML scientist to join my team Prescient Design Genentech! 🧬 If you have experience & interest in multi-modal biological foundation models and agents for science, reach out and let's meet up! Link to apply 👇

Ever felt like Boltzmann Generators trained with Flow Matching were doing fine, just not good enough? We slapped Path Gradients on top, and things got better. No extra samples, no extra compute, no changes to the model. Just gradients you already have access to.

Excited to have contributed to this amazing work by Lorenz Vaitl! arxiv.org/abs/2505.10139

Really pleased to share what I have been working on for 2 months: 🇬🇧 UK SovAI are today announcing our £8m seed investment into OpenBind - A consortium that will actually make AI for drug discovery great by generating 500k experiment protein-ligand complexes!! Explainer 🧵 (1/n)