I received many requests to share materials from our undergraduate course “Machine Learning in Chemistry”
— here you go!
A preprint summarizing insights and lessons learned:
chemrxiv.org/engage/chemr...
A Jupyter Notebook Tutorial Gallery:
xuhuihuang.github.io/mlchem/html/...
Xuhui Huang
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!
Xuhui Huang
My focus for Spring 2025: launching an undergraduate course developed from scratch - "Chem361: Machine Learning in Chemistry"! @UW-Madison Chemistry
Here's a glimpse of what we'll explore:
