BioEmu
github.com/microsoft/bioemuMicrosoft's generative model for sampling protein equilibrium conformations 100,000× faster than MD simulations, predicting domain motions, local unfolding and cryptic binding pockets on a single GPU (Science 2025)
Sourced from
- Awesome AI for Science — github.com/microsoft/bioemu
- GitHub — github.com/microsoft/bioemu
Related resources
Protein structure prediction
AlphaFold 3 inference pipeline for unified biomolecular structure prediction of proteins, nucleic acids, small molecules, ions, and post-translational modifications (Google DeepMind, Nature 2024)
Deep learning library for Chemistry based on Tensorflow
Protein structure prediction from ESM models
First fully open-source model achieving AlphaFold3-level accuracy with 1000x faster binding affinity prediction (MIT)