New version of ChemCrow out 🔥🔥 arxiv.org/abs/2304.05376 The LLM-powered chemistry assistant got major updates 💪 What's new? Robots synthesizing stuff, human/crow collaboration, novel molecules, safety, new evaluations + open source release! 🤩 See more 👇 1/8 #compchem

Our new preprint "Does one need to polish electrodes in an eight pattern? Automation provides the answer." is now available on ChemRxiv. We automated the mechanical polishing of glassy carbon electrodes. (1/4) doi.org/10.26434/chemr…

Alán Aspuru-Guzik (Alan Aspuru-Guzik) of Chemistry at UofT and @uoftcompsci is one of five researchers to receive a 2024 @uoft President’s Impact Award. uoft.me/ajF

Out now ChemRxiv! We explored using machine learning to predict #OPV device performance from molecular structure of the materials *and* processing data. Hopefully this somewhat didactic approach is useful to those in the field who are interested in ML. doi.org/10.26434/chemr…

Excited to share that we're hosting a full-day #Workshop on Accelerating Discovery in Natural Science Labs with AI and Robotics at #ICRA 2024 in Yokohama, Japan!🤖🔬Join us for insightful presentations from leading researchers in academia and industry #AI #Robotics #LabAutomation

Check out our project on ranking models for Bayes opt of molecular datasets, with Stanley Lo Samantha Corapi! Done as part of the first Acceleration Consortium (AC) bo-hackathon, organized by Sterling G. Baird. More details to come! ac-bo-hackathon.github.io/projects/proje…

Introducing Molecular Hypergraph Neural Networks (MHNN), a powerful new approach to modeling complex molecular structures with higher-order connections like conjugated bonds, benchmarked on optoelectronic property prediction tasks.

I've added four new tutorials to the "Fundamentals" section of "Practical Cheminformatics Tutorials", bringing the total number of Jupyter notebooks to 28. All the tutorials can be run on Google Colab without installing any software locally. github.com/PatWalters/pra…

It’s my great pleasure to announce the official publication of our Delocalized, asynchronous, closed-loop discovery of organic laser emitters on Science , together with Felix Strieth-Kalthoff and all, we discovered the brightest molecule science.org/doi/10.1126/sc…

More than 2.5 years after joining Alan Aspuru-Guzik's lab at University of Toronto, our decentralized self-driving lab has eventually found its home in Science Magazine. It's been the biggest, most intense (and craziest) research project I've ever been involved ... [🧵] science.org/doi/10.1126/sc…

Out now Digital Discovery: We wrote an open-source Python API for Chemspeed instruments so you don't have to! This package is intended for the automation & #SelfDrivingLabs community, so please let us know what you think and if you run into any issues. doi.org/10.1039/D4DD00…

Is AI sentient? My friend and colleague Prof. John Etchemendy, a renowned professor and co-Director of Stanford HAI , just co-authored this piece to debunk the claim that today’s LLMs are sentient TIME time.com/collection/tim…

It’s finally out, my last piece of undergraduate work! DOI: doi.org/10.1039/D4TA01… Really glad to have been a part of this project! Learned so much from Martin Seifrid who has been a great mentor to me. Shoutout to Dylan Choi, the group at Thuc-Quyen Nguyen, and Alan Aspuru-Guzik !

Our exploration of machine learning to predict #OPV device performance from molecular structure of the materials *and* processing data is now officially published in J. Mater. Chem. family A as part of their 2024 Emerging Investigators series! doi.org/10.1039/D4TA01…

🚀🚀 New Publication Alert! bit.ly/3R1WAgm Discover how AI and ML are revolutionizing computational chemistry by enhancing scalability, speed, and accuracy in predicting chemical properties and solving the Schrödinger equation. This review highlights key advancements,

Low Suzuki coupling yields? Protected boronic reagents still protodeboronating? Newsflash -- the bulky ligand you used to promote difficult Suzuki couplings may be the culprit! Check out our preprint on palladium-catalyzed protodeboronation.🧵1/15 doi.org/10.26434/chemr…

Sure matplotlib is cool, but what if I want to load my loss curves into the 2006 hit Flash game LineRider?