Models

Specialized models for specific tasks.

AlphaFold 2

AlphaFold 2

State-of-the-art protein structure predictor with benchmark-setting accuracy on monomers and broad adoption across biology.

Protein Structure
v2.3.1
Jumper et al., Nature (2021)
Boltz-1

Boltz-1

Biomolecular interaction modeling for protein complexes and small-molecule binding; joint structure and affinity inference.

Protein Structure
v1.0
Wohlwend et al., bioRxiv (2024)
Boltz-2

Boltz-2

Successor to Boltz-1 with improved interaction modeling for complex structure and binding tasks; supports design workflows via scoring.

Protein Structure
2.2.1
Passaro et al., bioRxiv (2025)
SimpleFold

SimpleFold

First flow-matching based protein folding model using general purpose transformer blocks. Available in sizes from 100M to 3B parameters, challenges complex domain-specific architectures with competitive performance on standard benchmarks while enabling efficient deployment on consumer hardware.

Protein Structure
v1.0
Wang et al., arXiv (2025)
ESM-1b

ESM-1b

Evolution-scale protein language model family; enables fast structure prediction (ESMFold) and inverse folding for design (ESM-IF1).

Language Model
2
Lin et al., Science (2023)
EvoLLa + Llama3 8B

EvoLLa + Llama3 8B

LLM adapted to protein property prediction with verbalized benchmarks, covering solubility, localization, PPI, and DTI tasks.

Language Model
v1.0
Chen et al., bioRxiv (2025)
ProTrek

ProTrek

Tri-modal contrastive representations (sequence–structure–function) to navigate protein space and support design/annotation.

Deep Learning
v1.0
Su et al., bioRxiv (2024)
DeNovo-Pinal

DeNovo-Pinal

De novo protein design guided by natural-language intent, generating candidates consistent with target specifications.

Protein Structure
v1.0
Dai et al., bioRxiv (2024)
SaProt

SaProt

Structure-aware protein language model with 3D-informed vocabulary that improves downstream property modeling and redesign.

Protein Structure
v1.0
Su et al., ICLR (2024)
SignalP 6.0

SignalP 6.0

Signal peptide prediction across organism groups, including type classification and cleavage site identification.

Deep Learning
v6.0
Teufel et al., Nat. Biotechnol. (2022)
AMP-Net

AMP-Net

Deep learning framework for antimicrobial peptide discovery and prioritization to accelerate therapeutics design.

Deep Learning
v2.0
Ruiz Puentes et al., Membranes (2022)
DeepLoc

DeepLoc

Deep learning model for protein subcellular localization; widely used baseline (DeepLoc 2.0).

Deep Learning
v2.0
Thumuluri et al., Nucleic Acids Res. (2022)
OpenMM

OpenMM

High-performance molecular dynamics engine for biomolecular simulation; GPU-accelerated and extensible.

Molecular Dynamics
v8.0
Eastman et al., J. Phys. Chem. B (2024)