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Scientific model guide

Protein Structure Prediction AI Models

Protein-structure models are not interchangeable. Monomer prediction, multimolecular co-folding, ligand support, nucleic-acid support, access terms and evaluation protocols all change what a model can responsibly support.

Curated model passports

28 relevant BioAtlas records.

Structure Prediction

AlphaFold 2 / 3

The model that solved the 50-year protein-folding problem.

Evidence4/7 evidence fields documented
AccessLimited open access
ComputeGPU / managed server
BenchmarkCASP14 / complex evaluations
Open evidence passport →
Structure Prediction

RoseTTAFold / All-Atom

The three-track network that followed folding into all-atom space.

Evidence4/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkCASP14 / complex modelling
Open evidence passport →
Structure Prediction

OpenFold

A fully open, trainable reproduction of AlphaFold 2.

Evidence3/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Structure Prediction

ESMFold

Structure from a single sequence — no alignment required.

Evidence3/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Structure Prediction

Chai-1 / Chai-2

An AlphaFold3-class complex predictor, made freely usable.

Evidence4/7 evidence fields documented
AccessLimited open access
ComputeGPU / hosted service
BenchmarkComplex and antibody-design evaluations
Open evidence passport →
Structure Prediction

Boltz-1 / Boltz-2

Open-source AF3-quality structure — plus binding affinity.

Evidence4/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkPoseBusters and affinity benchmarks
Open evidence passport →
Structure Prediction

Protenix

ByteDance's open reproduction of AlphaFold 3.

Evidence2/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Protein & Binder Design

RFdiffusion

Diffusion models that hallucinate brand-new proteins.

Evidence5/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkExperimental binder validation
Open evidence passport →
Protein & Binder Design

ESM3

A generative model that reasons over sequence, structure & function at once.

Evidence4/7 evidence fields documented
AccessLimited open access
ComputeGPU / hosted service
BenchmarkGenerative protein evaluations
Open evidence passport →
Protein & Binder Design

Chroma

Programmable protein generation with a diffusion 'grammar'.

Evidence3/7 evidence fields documented
AccessLimited open access
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Protein & Binder Design

Latent-X

Push-button, all-atom binder design in the browser.

Evidence2/7 evidence fields documented
AccessProprietary
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Protein & Binder Design

AlphaProteo

High-affinity binder generation from DeepMind.

Evidence2/7 evidence fields documented
AccessProprietary
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Small-Molecule & Chemistry

NVIDIA BioNeMo

The GPU-accelerated toolkit that ships biology's foundation models.

Evidence2/7 evidence fields documented
AccessLimited open access
ComputeNVIDIA GPU / managed service
BenchmarkNot yet curated
Open evidence passport →
Small-Molecule & Chemistry

NeuralPLexer / Enchant

Physics-aware structure + multi-task ADMET foundation models.

Evidence2/7 evidence fields documented
AccessLimited open access
ComputeGPU or managed service
BenchmarkNot yet curated
Open evidence passport →
Genomics, DNA & RNA

AlphaMissense

Classifying which missense mutations cause disease.

Evidence2/7 evidence fields documented
AccessLimited open access
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Antibodies & Biologics

IgLM / AntiBERTy

The antibody-specific language models many tools build on.

Evidence4/7 evidence fields documented
AccessOpen source
ComputeManaged platform or GPU
BenchmarkAntibody sequence evaluations
Open evidence passport →
Antibodies & Biologics

LabGenius — EVA

A robotic evolution engine for multi-specific antibodies.

Evidence1/7 evidence fields documented
AccessProprietary
ComputeManaged platform or GPU
BenchmarkNot yet curated
Open evidence passport →
AI-Native Discovery Cos.

Generate:Biomedicines

Generative biology turned into a clinical-stage pipeline.

Evidence1/7 evidence fields documented
AccessLimited open access
ComputeVendor managed
BenchmarkNot yet curated
Open evidence passport →
Protein & Binder Design

BoltzGen

All-atom generative binder design across proteins, peptides and molecular partners.

Evidence2/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkBinder-design evaluations
Open evidence passport →
Antibodies & Biologics

RFantibody

De novo epitope-specific antibody design from the RFdiffusion lineage.

Evidence4/7 evidence fields documented
AccessLimited open access
ComputeGPU recommended
BenchmarkExperimental antibody design
Open evidence passport →
Protein Foundation & Representation

SaProt

Protein language modelling with amino-acid and structural-alphabet tokens.

Evidence4/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkProtein understanding benchmarks
Open evidence passport →
Small-Molecule & Chemistry

Uni-Mol / Uni-Mol2

3D molecular foundation models trained on atoms, topology and conformational geometry.

Evidence3/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkMolecular representation/property benchmarks
Open evidence passport →
RNA Models & Design

RiNALMo

A large RNA language model for transferable nucleotide representations.

Evidence4/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkRNA downstream and structure tasks
Open evidence passport →
RNA Models & Design

RNA-FM

A foundational BERT-style model for non-coding RNA sequence representations.

Evidence2/7 evidence fields documented
AccessOpen source
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
Structure Prediction

HelixFold3

An open AF3-class biomolecular complex predictor from the PaddleHelix ecosystem.

Evidence2/7 evidence fields documented
AccessLimited open access
ComputeGPU recommended
BenchmarkNot yet curated
Open evidence passport →
How to interpret this topic

Choose by context of use.

Inputs matter

Sequence, structure, ligand, assay and single-cell inputs imply different data-quality and preprocessing assumptions.

Outputs are not interchangeable

A predicted pose, confidence score, affinity estimate, generated sequence and perturbation profile support different decisions.

Benchmarks are protocol-bound

Claims should only be compared when task, dataset, split, metric and evaluation protocol genuinely align.

Validation remains external

BioAtlas records evidence boundaries; prospective scientific and experimental validation is still required for consequential use.