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ESMFold2 is the successor to ESMFold, setting a new state of the art for single-sequence structure prediction and enabling the generation of new functional proteins through searching the ESMC model’s latent space. The model predicts high-resolution, all-atom 3D structures of biomolecular complexes directly from sequence, with optional multiple sequence alignment input for enhanced accuracy on challenging targets. It is designed for structure prediction using sequence and structure modalities, with ESM representations powering a series of looped folding layers and a diffusion model projecting pairwise representations to atomic-resolution predictions. ESMFold2 predicts protein structures directly from amino acid sequences and outputs comprehensive structural information, including all-atom coordinates for backbone and side chains, confidence metrics, and optional distogram predictions for detailed structural analysis.

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