Microsoft Research releases BioEmu2, an open-weight MIT-licensed foundation model for biomolecular dynamics
FrankNoeBerlin · x · 2026-10-20
Microsoft Research's AI for Science team has released a public preview of BioEmu2, a foundation model for biomolecular structure, dynamics, and function, with open weights under an MIT license.
BioEmu2 scales up the Implicit Transfer Operator (ITO) Learning framework (NeurIPS 2023), which uses denoising diffusion models with SE(3)-equivariant architectures to learn multi-time-resolution surrogates of molecular dynamics — bridging the gap between femtosecond integration steps and the much longer timescales needed for quantities like binding free energies.
The authors showcase BioEmu2 simulating the binding of the intrinsically disordered peptide PUMA to the MCL-1 receptor. Code is available on GitHub.
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