CAPRI call for target! CAPRI (Critical Assessment of PRedicted Interactions) is a community-wide initiative for testing computational algorithms in blind predictions of experimentally determined 3D structures of biomolecular complexes. capri-docking.org/contribute

Another preprint that has been a lot of fun is our work on Channel Vision Transformers with YujiaBao and Srinivasan Sivanandan , a vision transformer variant which explicitly models different channels separately and creates one token per channel. Paper: arxiv.org/abs/2309.16108# 1/N

Next Tuesday, 11/14 @ 4 pm EST we'll have Samuel Stanton and Nate Gruver present: Protein Design with Guided Discrete Diffusion Read the paper: arxiv.org/abs/2305.20009 Zoom links will be sent out via email as per usual, sign up on our website to receive them in your inbox!

🚨Job Alert🚨 Two open positions in the AI for protein design lab: 1) One fully-funded PhD for the (experimental) design of artificial enzymes 2) A three-year (extensible) postdoctoral position for training intelligent agents and XAI techniques. Apply: aiproteindesign.com/jointhelab

Is chemical ML going to relearn Sutton's bitter lesson the hard way? corinwagen.github.io/public/blog/20…

Come to the poster session at #NeurIPS2023 to learn more about TensorNet, fast and accurate neural network potentials: openreview.net/forum?id=BEHlP…

Excited and proud to launch the new insitro website in an attempt to break open the black box. Check it out and more to come!

coscientist. copilot for science. Microsoft, are you listening? talk to us!

Generation of 3D molecules in pockets via a language model #machinelearning #compchem nature.com/articles/s4225…

A new post at Practical Cheminformatics, "AI in Drug Discovery - A Highly Opinionated Literature Review (Part III)". Following up on parts I and II, the third post in the series is a collection of review articles published in 2023 that I found helpful. practicalcheminformatics.blogspot.com/2024/01/ai-in-…

AI biotech Exscientia's board fired CEO Andrew Hopkins for "two inappropriate relationships with employees." Board chair David Nicholson, former head of R&D at Allergan, resigned because he learned of one of the relationships and had not told the board. sec.gov/Archives/edgar…

Radcliffe Camera through the seasons 🌸🍃🍂❄️ 1. Spring 2023 2. Summer 2023 3. Autumn 2023 4. Winter 2024

Postdoctoral positions available on machine learning, generative modelling for chemistry: compscience.org/postdoctoral20…

Announcing CACHE challenge #6: predict 100 ligands for the immuno-oncology target SETDB1. We will test them experimentally and release all data publicly. bit.ly/3QBgYoK #compchem Structural Genomics Consortium (SGC) Conscience

Passionate about AI + Proteins? We are hiring deep-learning scientists at all levels. We are in a privileged location with extensive resources. Junior or senior, if this resonates with you, apply now! recruitment.crg.eu/content/jobs/p…

Machine Learning Potentials: A Roadmap Toward Next-Generation Biomolecular Simulations Neural network potentials are very powerful, but they appear too slow to be ever used for macromolecules.. this work provides a possible roadmap... P: arxiv.org/abs/2408.12625

We are hiring a Machine Learning Scientist to work on LLMs for Chemistry Prescient Design, together with our ML for Small Molecule Drug Discovery, ML Engineering, and Prescient LLM teams! Stephen Ra Keunwoo Choi roche.wd3.myworkdayjobs.com/ROG-A2O-GENE/j…

🎉Exciting news! Our very own Noelia Ferruz has begun work on ATHENA, a new AI model designed to create custom proteins. From carbon capture to environmental cleanup, the project can provide completely new ways of tackling long elusive problems. The project is backed by a €1.5M

This summer, we hosted 27 students from BS, MS and PhD programs who tackled cutting-edge ML-driven drug discovery challenges. From gene behavior to single-cell analysis, they pushed boundaries & brought fresh energy. Thanks to all for an inspiring season of innovation. 🔬