metatensor logo

metatomic logo

🚨 #machinelearning for #compchem goodies from our 🧑‍🚀 team incoming! After years of work it's time to share. Go check arxiv.org/abs/2508.15704 and/or metatensor.org to learn about #metatensor and #metatomic. What they are, what they do, why you should use them for all of your atomistic ML projects 🔍.

snapshot of a trajectory of a Ar38 cluster undergoing a transition from the fcc to the icosahedral minima

New 🧑‍🍳📖 #recipe landed, doubling up as a @plumed.org tutorial 🐦 atomistic-cookbook.org/examples/met..., and explaining how to use the #metatomic interface in #plumed to define custom collective variables with all the flexibility and speed of torch.