👉🏻 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@ChemicalScience
📝 Read: https://t.co/SfkIJguHbL |
🔧Install: https://t.co/e05RDmvRtw
📢 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
👉🏻 https://t.co/vpFo9lPAoU
In our latest featured article, Haas, Hardy, Sowndarya, Adams, Coley, Paton and Sigman demonstrate that descriptors for compounds can be predicted on-the-fly at a high degree of accuracy by using DFT-level libraries as training data for a GNN. Read more: https://t.co/rqDNye9OkC
We’re excited to share our quantitative assessment of the potential impact of skeletal edits, now on ChemRxiv! This cheminformatic platform was developed with @lucaskaras1 from @Sigman_Lab and Reilly Eason & @Charles_chem at #MerckChemistry.
https://t.co/8U3mqcQ0PC
Check out the final version of ROBERT, a great tool to automate some ML tasks! Congrats to the @TheAlegreGroup and especially @DalmauDavid, who’s currently visiting us in Salt Lake City.
ROBERT is officially out!
https://t.co/DreQDg0DQu
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 https://t.co/e05RDmwpj4
Our semiannual meeting series kicked off yesterday and was a great success. Next week's meeting will again feature presentations on the exciting work being done by C-CAS members. If you haven't already registered, you may do so here: https://t.co/9dXXCAoI7Y
RT. Chemistry and data junkies—honk if you want to join our team as prestigious Azrieli Postdoctoral Scholars and work at the interface of catalysis, machine learning, and uncensored mechanistic bliss. Deadline 18 Nov 2024
https://t.co/as3XH51qvg
Our work in @SarpongGroup on remodeling of 2-pyrones to aryl amines under mild conditions is out in @ChemicalScience. I enjoyed working with Louis in @bobbypaton’s lab and Melissa in @Sigman_Lab to better understand this unexpected transformation! 1/3
https://t.co/AsrFdIVcuW
Congrats to fifth year grad student @MoeSamha7 for winning the best oral presentation prize at the “Accelerating catalytic advancements thorough the precision of HTE & calculation” symposium #ACSFall2024 Great work as always! 👏🏻🦾
I’m currently at my first ever conference- @GordonConf Stereochemistry- and I’m so blown away by how supportive all the wonderful chemists are here! I can’t believe I’m so fortunate to be able to talk about how cool the universe is for a JOB! Huge fan of asymmetric catalysis.
Natalie, Moe, and Simone have been presenting their work at the Organic Reactions and Processes #GRCORP. Lots of data science for reaction optimisation, well done!
Throwback to Alex and Avijit presenting their work in collaboration with Will from the Reisman Lab at the CSEO meeting in Caltech a couple of weeks ago. Really exciting science coming soon!