
Protein sequence and structure prediction
1004 models in this category
Protein foundation models learn the evolutionary and physicochemical grammar encoded in amino acid sequences, enabling tasks from atomic-accuracy structure prediction to de novo sequence generation. They span a wide design space: sequence-only language models like ESM learn representations from hundreds of millions of natural proteins, while structure-informed models like AlphaFold and Boltz couple sequence to three-dimensional coordinates. Together they underpin modern drug discovery, enzyme engineering, and vaccine design.
The most adopted protein foundation models have become standard infrastructure in structural biology labs. AlphaFold reshaped the Protein Data Bank; ESM embeddings drive zero-shot mutational effect predictions that correlate with deep mutational scanning experiments; RFdiffusion and ProteinMPNN are used together to design binders and enzymes from scratch. Downstream benchmarks like ProteinGym and CASP provide shared ground truth for comparing models across fitness prediction, structure accuracy, and design tasks.
Top-rated protein models from our evaluations
Protein structure prediction model that folds amino acid sequences into 3D structures with atomic accuracy, scoring a median GDT of 92.4 at CASP14.
Diffusion-based structure prediction model for biomolecular complexes, spanning proteins with DNA, RNA, small molecules, ions, and modified residues.
Protein language model family from 8M to 15B parameters, used as a frozen sequence encoder whose representations encode atomic-level structure.
Protein structure prediction from a single sequence, with no multiple sequence alignment. Folds a 384-residue protein in 14.2 seconds on one GPU.
Protein structure and complex prediction from sequence, in a three-track network that reasons over alignments, distances, and 3D coordinates at once.
Protein complex structure prediction model extending AlphaFold 2 with paired MSA processing and ipTM scoring for multi-chain, multimeric assemblies.
A protein foundation model is a large neural network pretrained on vast corpora of amino acid sequences, structures, or both, learning representations that transfer to downstream tasks like structure prediction, function annotation, and sequence design. Unlike task-specific models, they generalize broadly across protein families and applications. Well-known examples include ESM, AlphaFold, and Boltz.
Protein language models like ESM are trained purely on sequence data and produce rich residue-level embeddings useful for fitness prediction and zero-shot variant scoring. Structure predictors like AlphaFold and Boltz additionally model the mapping from sequence to three-dimensional coordinates. Many modern pipelines combine both: embeddings for representation, structure prediction for geometry.
It varies considerably. ESM and ESMFold weights are openly released by EvolutionaryScale/Meta, and RFdiffusion code is available from the Baker Lab. AlphaFold weights are publicly available but under a CC BY license that restricts commercial redistribution. bio.rodeo's openness scores break down each model's licensing, weight access, and data transparency individually.
Common benchmarks include CASP for structure prediction accuracy, ProteinGym for mutational fitness prediction, and FLIP for sequence-function fitness landscapes. For design tasks, wet-lab validation remains the gold standard, though computational proxies like pTM, pLDDT, and ESMFold structure recovery are widely reported.