← back to domains
§ 03 · domain

De Novo Biomolecule Design

Antibody / biologics design

10 tools
AF3

for antibody-antigen complex prediction (still a hard task).

AbDiffuser

diffusion models specialized for CDR loops and full antibody scaffolds.

AbLang

antibody-specific language models.

AlphaFold-Multimer

for antibody-antigen complex prediction (still a hard task).

AntiBERTy

antibody-specific language models.

Boltz-Ab

for antibody-antigen complex prediction (still a hard task).

IgDiff

diffusion models specialized for CDR loops and full antibody scaffolds.

IgLM

antibody-specific language models.

Lab-in-the-loop platforms

Cradle, Generate Biomedicines, Xaira, Iambic, Profluent, closed-loop iterative design with experimental feedback.

RFdiffusion-Ab

diffusion models specialized for CDR loops and full antibody scaffolds.

Enzyme design

4 tools
ESM3

generative approaches.

MULTI-evolve
Hsu/Konermann labs

AI-guided directed evolution.

RFdiffusion + active-site grafting

the current standard pipeline for designing novel enzymes.

ZymCTRL

generative approaches.

Nucleic acid design

5 tools
AptaTrans

generative models for aptamer design (still early, the tool you'd want for the sweet-receptor aptamer thought experiment).

Evo 2
Arc Institute

variant effect across DNA, RNA, and protein in a single model.

LinearDesign

RNA codon optimization for stability and translation efficiency.

RaptGen

generative models for aptamer design (still early, the tool you'd want for the sweet-receptor aptamer thought experiment).

mRNA codon optimization tools

for therapeutic mRNA.

Protein design

7 tools
Chroma (Generate Biomedicines)

alternative protein generative models.

ESM3

generative approaches.

FoldFlow

alternative protein generative models.

FrameDiff

alternative protein generative models.

Genie

alternative protein generative models.

ProteinMPNN

inverse folding, given a backbone, predict a sequence that folds to it. The standard pairing with RFdiffusion.

RFdiffusion

denoising diffusion over protein backbones, conditioned on desired binding partners or scaffolds. The dominant tool for de novo binder design.