COSMO Lab 🇨🇭🇪🇺

Just to bring some 🧑‍🚀 science fun to those of us still hanging out in this pit of despair, just wanted to share the exciting news you can now run MD (better, FlashMD⚡️) with up to 64ps timestep for systems as diverse as ala2, Al(110), LiPS, and whatever comes to your mind.

📢For those still hanging out here, a new #cookbook recipe landed, demonstrating >2x speedup of *conservative* MD for the PET-MAD universal #MLIP using multiple time stepping. Check out the details at the other place, or head to atomistic-cookbook.org/examples/pet-m… #compchem #machinelearning

🚨help needed!🚨 Does anyone, ORB-affiliated or not, can share with us the model weights orb-v2-20241011.ckpt? We need urgently to reproduce some results we obtained with that model checkpoint, but it was removed from their huggingface repo because "the model reached EoL" 🤷. 🙏

🤫 you can get a better universal #machinelearning potential by training on fewer than 100k structures. too good to be true? head to arxiv:2503.14118, to the atomistic cookbook, or to the better science social if you want to find out more about PET-MAD. 🧑‍🚀 over and out 👋

Join the dark side of the forces (or not!). TL;DR - Using forces that are not conservative is not a great idea. Latest and greatest, now on the @arxiv , from Filippo Bigi and @marceldotsci.