🔥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

FeatureDock - a transformer-based docking software leveraging local chemical features - is now published in npj Journals! Congrats to MINGYI XUE, Bojun Liu , and SIQIN CAO! Paper: nature.com/articles/s4438… Software: github.com/xuhuihuang/fea…

Really enjoyed Zhiyue's seminar on Tuesday!

Please consider nominating candidates for these ACS COMP awards! The deadline is March 21! ACS COMP sites.google.com/site/acscompte…

A much-needed escape from a hectic semester—insightful scientific discussions, inspiration, and fun! Mesilla is a hidden gem in New Mexico. Thanks to the organizers Rui Sun & Greg Voth!

🚨 PLEASE RT 🚨 Are you a comp chem trainee attending Spring ACS in San Diego? Would you like to expand your network with mentors in industry & academia at the COMP Mentor Lunch? Fill out this form if you are interested in attending! forms.gle/VJ2j88Zz4PNGpV…

Hello San Diego! I’m giving two talks #ACSSpring2025: one this afternoon on transition states in protein conformational changes in enhanced sampling symposium Barak Hirshberg 🎗️ and another tomorrow on memory kernels in reaction coordinate symposium. Stop by if you're interested!

Just one week left! Please consider submitting an abstract to our Pacifichem 2025 Pacifichem symposium on machine learning for biomolecular dynamics. Deadline: April 2!

We developed an unsupervised ML model PNASNews to relate structure of supercooled liquid to its long-term dynamics. It uncovers a a surprising role of medium- & long-range structure on long-time behavior. First collab with Arun, led by Yunrui Qiu pnas.org/doi/10.1073/pn…

Excited to share that our AMUSET-TICA, a tensor-based approach for identifying CVs, is now published in JCTC’s MSM special issue! Big congrats to all the authors! SIQIN CAO Bojun Liu Micheline Soley pubs.acs.org/doi/full/10.10…

The semester is wrapping up! I gave my final Chem361 lecture last Thur. Looking forward to next week's final project presentations - every student who passes will receive a custom 3D-printed keychain I designed as a souvenir for the inaugural ML in Chemistry class! UW-Madison Chemistry

Big congratulations to Bojun Liu from our group on winning the APL Computational Physics Best Poster Award at #MWTCC55! Great job, Bojun! UW-Madison Chemistry TCI UW-Madison

A belated but heartfelt congratulations to Jordan Boysen on winning the 2025 ACS Division of Physical Chemistry Undergraduate Award! Jordan has been with our group since Jan 2023 and is an exceptionally talented student. Best wishes as he begins grad school at UChicago Chemistry!

Congratulations to Mingyi (MINGYI XUE) on an outstanding PhD defense—our lab’s 19th PhD! Wishing you all the best as you begin your next chapter in the Bay Area biotech industry! UW-Madison Chemistry TCI UW-Madison

Super excited 3 days at the CECAM workshop co-organized with Greg Bowman, Bettina! Protein dynamics is definitely shaping up to be the next big topic in AI for Science! Huge thanks to CECAM, datascience@uw UW-Madison Chemistry, TCI UW-Madison, Emma & amazing DSI staff!