Novo Nordisk

Molecular ensemble foundation model for cyclic peptides, pooling per-conformer EGNN embeddings to predict membrane permeability from 3D structure.

Chemical language models pretrained on SMILES for therapeutic peptides, natively representing non-canonical residues, cyclization, and conjugation.

Open-source Apache-2.0 reproduction of AlphaFold3 that predicts all-atom structures of proteins, RNA, DNA, small molecules, and their complexes.

Peptide aggregation predictor that scores amyloid propensity at single-residue resolution from ESM-2 embeddings, reaching 0.918 AUC on Serrano157.