🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

📢 Applications open to join the CAMLC24 workshop, a great opportunity for computational chemists who want to learn about cheminformatics, automation, and machine learning. 🗓️ June 16-19 in Jaca, Spain. With very affordable fees thanks to QuimComp . 👉🏻 camlc24.github.io

The 2024 cycle for the CSA Trust Grant is now open! Visit csa-trust.org for more info.

we’ll be opening postdoc positions in the the gomes group soon. interests: automation in physical sciences, ML + foundational models, biocatalysis + biomaterials (e.g., glycans), computational + physical organic chemistry, applied math, robotics, non-traditional computing, and more.

Thank you very much for the invitation!

Repost, amplify, apply, encourage

📢 Are you a computational chemist #compchem using Gaussian, ORCA... that analyze output files manually? (i.e., normal terminations, imag freqs, errors...) These two AQME videos, 10 min total, could save you many hours and effort: youtube.com/watch?v=1Om_26… youtube.com/watch?v=rg8mAM…

Really enjoyed having The Alegre Group over at UoM Chemistry! Awesome seminar and great scientific discussions. The best part, drinks afterwards! (Sorry, we forgot to take pics 🤣) 🍻 #ScienceAndFun #compchem #collaborators #academiclife

📢VI Convocatoria del “Premio a artículos destacados en el área de Química y Computación” publicados en el año 2023. Fecha límite envío de candidaturas: 31/05/2024. Más información: geqc.rseq.org/premios/

📢 A 3-year funded PhD position is available at our group (ISQCH, Zaragoza, Spain), an opportunity to work on catalyst discovery using #compchem, cheminformatics, and #MachineLearning. Details: thealegregroup.com/working-with-us 🗓️ Deadline: June 15 Please RT QuimComp Jóvenes Investigadores Químicos (JIQ-RSEQ)

☑️ Day 1 of the international #CAMLC24 was a huge success (well, after we found out there was A/C in the classroom). I’m so glad to have the opportunity to help lead this short course on cheminformatics, automation and machine learning in chemistry.

We are working hard to make ORCA (FACCTs & MPI Kofo) even better and more accessible. It's great that it is recognized by the community as “one of the most complete toolkits” (The Alegre Group) in Quantum Chemistry. #ORCAqc #ORCA6 #TrendsInChemistry doi.org/10.1016/j.trec…

As summer comes to an end, we would like to thank David Dalmau The Alegre Group, Rafa Uceda ⌬ MOR_Fun research group & Joe Hayes Hertford College, Oxford, whom we had the pleasure of hosting this year. Many thanks for your contributions! We hope you had a good time; good luck with your studies!

The group is growing! 🎉 Welcome to our new PhD students: Julia (Julia Kaczmarek ⌬) automating reactions with The Alegre Group, Bashaer Banasir on halogen-bond organocatalysis, Nikeel Cull with Andrew Leach Research Group, and Nilanjan (Nilanjan Bhaduri) with Greaney Group on exp-comp project. 😄

ROBERT is officially out! wires.onlinelibrary.wiley.com/doi/full/10.10… Ideal tool for chemists (both computational and experimental) who want to implement and automate machine learning protocols in their research. 📚 2 min installation, user interface and tutorials on robert.readthedocs.io/en/latest/

Thanks for having me! Very nice visit for sure 🙌

Our group is recruiting a PhD student for a project on combining traditional expert features with deep learning for reaction prediction. Reposts and spreading the word to interested people in your network appreciated! jobs.ethz.ch/job/view/JOPG_…

📢 Applications open to join the second edition of the CAMLC workshop, a great opportunity for chemists who want to learn about cheminformatics, automation, and machine learning. September 16-19 in Zaragoza, Spain. 🗓️ Application deadline: February 28 👉🏻 camlcworkshop.github.io

📢 Applications open to join the second edition of the CAMLC workshop, a great opportunity for chemists who want to learn about cheminformatics, automation, and machine learning. September 16-19 in Zaragoza, Spain. 🗓️ Application deadline: March 25 👉🏻 camlcworkshop.github.io

Our book with Ananikov Lab is in final production (even pre-orders are open). With contributions from Dr Marc Reid, Thijs Stuyver, Huziel E Sauceda, The Alegre Group, Kjell Jorner, and many others. #AI #Catalysis #MachineLearning #ML #CatalystDesign #CompChem

👉🏻 Are linear models the only/best choice for small databases in machine learning? Check out our work to implement nonlinear models in low-data regimes using ROBERT v2! Sigman Lab Chemical Science 📝 Read: pubs.rsc.org/en/content/art… | 🔧Install: robert.readthedocs.io/en/latest/