BioEmu
Sample equilibrium protein conformations at scale
BioEmu is a generative diffusion model that samples equilibrium conformational ensembles of proteins, from single structures to metastable states. It can produce thousands of independent conformers overnight on a single GPU, capturing transitions comparable to milliseconds of simulation. Enables ensemble docking and dynamics studies without MD.
BioEmu is being onboarded — request access and be first in line.
At a glance
- Input
- Protein structure (PDB)
- Output
- Conformational ensemble (PDB)
- Developed by
- Microsoft Research
- Published
- Lewis et al., 2025 · 2025
#ensembles#diffusion#conformational-sampling
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