My two absolute superstar colleagues Mercedes Taylor Dodson Group from UMD Department of Chemistry & Biochemistry UMD Science. And Testudo. OH and President Dr. Darryll J. Pines cameo/photo bomb in the background

looking forward to teaching this summer in beautiful Montreal in inaugural ML for drug discovery summer school at MilaQuebec ! I'll be teaching on day 2 'ML in Structure-Based Drug Discovery', on what accelerated sampling can/can not do

Details at portal.ml4dd.com

Great pleasure to be hosting Alessandro Laio for virtual statistical physics seminar today at Institute for Physical Science and Technology UMD Biophysics & Chemical Physics Programs

Excited about heading out to beautiful Trento, Italy to spend a week at the workshop 'Bridging scales: At the crossroads among renormalization group, multi-scale modeling, & deep learning'. The science, company, food AND the running🏃‍♂️ should be fantastic ectstar.eu/workshops/4029…

Very excited to see this new development with FEP+ from Schrodinger wherein now academic labs can also deploy state-of-the-art highly predictive, industry quality FEP calculations at scale on the cloud
extrapolations.com/pushing-the-bo…

Introducing Dr. Dedi Wang! Congrats Dedi Wang for defending your PhD from UMD Biophysics & Chemical Physics Programs Institute for Physical Science and Technology in flying colors! Next stop Genentech

Dedi is student number 5 to get PhD from our group at UMD Science

New preprint: information bottleneck approach for end-to-end Markov State Model construction! SOTA performance with minimal hyperparameter tuning for different systems. Work led by Dedi Wang Yunrui Qiu Eric Beyerle.Our first colab with Xuhui Huang !

arxiv.org/abs/2404.02856

Had a blast hosting Brian Shoichet for biophysics seminar today at UMD Biophysics & Chemical Physics Programs Institute for Physical Science and Technology today! No photos but lots of fun discussions and super inspiring talk covering many things including what it will take to screen 10^12 drug like molecules

Thanks for visiting us!

First a base, then endurance, then speed, then speed endurance.

I don't know who you are, but bingo! Running your own academic research group is like a perennial start-up, not for the faint hearted. You get time to do research but mostly you fight to generate resources and visibility for your team. Most people are too burnt out by ~tenure

did not get too lost before a long day of meetings!

Grant proposal writing buddy

Reading buddy

Very excited to be visiting Purdue Chemistry next week and talk about why life = fluctuations of just the right shape and size (and why this will almost certainly be beyond purely AI data-driven approaches). Many thanks to @mingche40113998 for inviting