Had an informative and enjoyable time at NeurIPS and MLSB. It was great to see my students present their work and catch up with other CPCB students, both past and present.
Excited to be at the first independent @workshopmlsb.bsky.social
If you like to sample from the Boltzmann distribution and are in San Diego for NeurIPS, be sure to check out Rishal's (@rishalchich.bsky.social) poster (#2110). Great work with Nick Boffi (@nmboffi.bsky.social) and Jacky Chen.
neurips.cc/virtual/2025...
arxiv.org/abs/2507.00846
🚨To accommodate the addition of EuroMLSB, we have extended the submission deadline to October 1, 2025 11:59pm AoE.
Find information on paper guidelines at mlsb.io. Submissions will be made through CMT.
Most of MLIPs dont distinguish between spin states, making them unsuitable for open-shell chemistry. We present AIMNet2-NSE (Neural Spin-charge Equilibration), MLIP that incorporates spin-charge equilibration for systems with arbitrary charge and spin. #compchem #skychem
chemrxiv.org/engage/chemr...
Woohoo!
Protein function often depends on protein dynamics. To design proteins that function like natural ones, how do we predict their dynamics?
@hkws.bsky.social and I are thrilled to share the first big, experimental datasets on protein dynamics and our new model: Dyna-1!
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Nooooooooo.... 😲
NIH funding supporting the HMMER and Infernal software projects has been terminated. NIH states that our work, as well as all other federally funded research at Harvard, is of no benefit to the US.