Kresten Lindorff-Larsen

lindorfflarsen.bsky.social

06 January 2025 10:04

📣 Save the dates 📅 We are organizing a Benzon Symposium on "Protein structure prediction and design" with what I think is an amazing set of speakers Meeting will take place in Copenhagen 🇩🇰 on Sept. 1–4, 2025, and abstract submission will open in March (benzon-foundation.dk/benzon-sympo...)

Botti-Marques research group

beautifulmaterials.bsky.social

25 December 2024 15:26

📣 We've benchmarked 7 leading universal Machine Learning Interatomic Potentials on their ability to predict phonon properties across ~10,000 semiconductors Some models are already matching DFT accuracy (MatterSim) while others need work (ORB, OMat24) Read here: arxiv.org/abs/2412.16551 #compchem

amelie-iska

amelie-iska.bsky.social

15 December 2024 11:39

If people find MSA subsampling useful, they will likely find MDGen very useful and they will definitely find BioEmu useful.

Jan Hermann

hrmnn.net

08 December 2024 10:31

I’d say it’s a combination. Some benchmarking was done by authors during the exploration phase (explicit?), some after by the community (implicit?). Indeed not many people call every free choice they verified empirically a hyperparameter—which they should

Kapalı içerik