BioEmu2 compresses a 5 ms protein simulation from 10 GPU-years to 40 minutes
FrankNoeBerlin · x · 2026-10-20
Frank Noé's team unveiled BioEmu2, a biomolecular foundation model focused on dynamics prediction.
- Demo: folding and binding of an intrinsically disordered peptide to its receptor via an intermediate — 5 ms of simulation would take >10 GPU-years with molecular dynamics, while BioEmu2 at 5 µs steps needs just 40 minutes on one GPU, a >100,000x speedup.
- The team claims it is the only SOTA biomolecular foundation model that predicts dynamics, using implicit transfer operators to propagate known or predicted structures in time — nanoseconds, microseconds, or straight to equilibrium.
- Includes a movie of adenylate kinase functional dynamics.
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