Published preprint at the gomes group on new graph representation for molecular #ML. Predicting properties of molecules remains an extremely challenging field due to the low amount of available data and the inherent complexity of the data. 🧵(1/n)

Another great turn out this week to hear from Santiago Miret about AI for Materials Discovery at Intel Labs! Thanks the gomes group for another great guest!

Excited to share an awesome collab between the Narayan Lab @ UMich ang the gomes group! Check out our preprint on CATNIP, using ML to help chemists identify a compatible biocatalyst for small molecule synthesis! Huge thanks to Daniil Boiko for making it all possible!🎉chemrxiv.org/engage/chemrxi…

I dream of a world in which every synthetic chemist runs biocatalytic rxns on the regular. Led by talented Narayan Lab @ UMich postdoc Allie Paton, PhD & in collaboration with the gomes group, we take a major step toward this goal by making biocatalysis more accessible. 🌿CATNIP for all the #biocats

a pretty nice summary of our🍃CATNIP🍃preprint! Narayan Lab @ UMich 🤝the gomes group

nuclear quantum effects, proton sandwiches, ML-accelerated ab initio molecular dynamics, and a lot of physical organic chemistry! Tantillo Lab 🤝 the gomes group, work done by the incredible Yusef Ahmed. preprint: chemrxiv.org/engage/chemrxi…

extreme scaling is needed in physical sciences. the the gomes group will have something on that soon, project led by the incredible Daniil Boiko.

If you feel way behind in this field, you are good company. I am way behind people like Andrew White 🐦‍⬛ Marc Porosoff and the gomes group. I am sure they still know way more than I do!

Vibrationally Assisted Tunneling through the Bread of a Proton Sandwich─Connections to Dynamic Matching | Journal of the American Chemical Society UC Davis UC Davis Department of Chemistry Gabe Gomes Carnegie Mellon University the gomes group pubs.acs.org/doi/10.1021/ja…

hey @google GoogleDeepMind Google AI, congrats on unveiling your AI co-scientist: research.google/blog/accelerat…. i am puzzled as for why you would ignore the original AI Coscientist from my the gomes group published in nature on December 2023: nature.com/articles/s4158…

such a joy to collaborate with so many amazing colleagues under U.S. National Science Foundation C-CAS! ultrafast and accurate NNPs with Pd to tackle some of the most relevant transformations in all of the chemical enterprise! CMU Mellon College of Science CMU College of Engineering the gomes group

Work from the gomes group explores a novel graph-based representation for molecular ML—tackling the complexity of predicting molecular properties with stereoelectronics-infused graphs. Make sure to check it out, and dive deeper here: 👉 gpggrp.cheme.cmu.edu

We're building GPG as a decentralized framework to accelerate scientific discovery—combining machine learning, automation, and open-access chemistry. The goal is to create public infrastructure for molecular innovation: fund research, share models, unlock datasets We'll be

We’re kicking off the Twitter Space. Excited to dive into the science, the vision behind $GPG, and how we're building infrastructure for open molecular innovation. x.com/i/spaces/1OyKA…

Clarification for the community: Our team has never previously launched a token. A past impersonation attempt led to a fraudulent coin unrelated to our work. We are a fully doxxed group of researchers committed to transparency, integrity, and building real scientific

We've just opened the official $GPG community. Join us as we kick off our first Space—diving into the vision behind GPG, our research roots, and how we’re building open infrastructure for scientific discovery. Community is live. Space starts now. x.com/i/communities/…

x.com/i/spaces/1OyKA…

We're experiencing some technical issues with the Space. Please bear with us—we’ll be live shortly.