All Competitors

Blind protein-ligand docking as a single transformer pass over distance matrices, at hundredths of a second per complex on one GPU.

Protein-ligand docking framework that picks the binding pocket by contrastive alignment, then refines the pose with bi-level iterative refinement.

Fine-tuned Prosit predictor of spectra and retention time for citrullinated peptides, separating them from isobaric deamidation in MS searches.

Mixed-modal DNA, RNA, and protein foundation model at 110M and 270M parameters, with in-context learning across sequence modalities.

Per-residue classifiers fine-tuned from ESM-2 and ProtT5 that label 20 UniProt protein features and read out what a missense variant disrupts.

All-atom protein dynamics simulator that bridges consecutive MD snapshots directly using SO(3)-equivariant two-sided stochastic interpolants.

Multimodal protein model pairing a sequence encoder with a Gene Ontology branch, trained in recursive cycles that clean their own noisy labels.

Predicts binding free energy change (ΔΔG) at protein-protein interfaces by scoring bound and unbound states with an inverse folding model.

Protein-ligand binding affinity prediction for Kd, Ki and IC50 from a pocket structure and a SMILES string, with no docked complex required.

Protein language model trained from scratch on MD and normal-mode dynamics, representing residue fluctuation and co-movement from sequence.

Zero-shot mutation effect scoring for designed and viral proteins, mapping frozen ESM2 representations onto MD and normal-mode dynamic properties.

AAV capsid design platform for gene therapy that steers a peptide language model toward inserts combining receptor targeting and production fitness.

Biomolecular structure prediction foundation model covering proteins, small molecules, DNA, RNA, and glycans in a single diffusion framework.

Multimodal LLM aligning natural language, small molecules and proteins in any direction, turning prose design goals into molecules or enzymes.

Protein fitness prediction model meta-trained across ProteinGym deep mutational scans, transferring to unseen assays in context with no task data.

Multi-modal protein foundation model aligning 3D structure and literature text to a sequence anchor through contrastive pretraining.

Structure-based drug design that generates molecules as synthetic pathways over 1.2M purchasable building blocks, so each design carries its route.

Protein sequence embedding method that pools a language model's token outputs by PageRank over its own attention, adding no trained parameters.

Diffusion model for de novo protein backbone design that learns a 32-dimensional latent code for global fold geometry and generates conditioned on it.

Protein conformational ensemble generation guided by experimental observables, steering a pretrained diffusion sampler toward Boltzmann statistics.

Conditional adapters over a frozen ProGen2 generate enzymes steered by EC number, taxonomy, or free-text function, including rare and unseen classes.

Immunogenicity classifier for reverse vaccinology, fusing frozen protein language model embeddings with Foldseek and ESM3 structure tokens.

Antibody language model that reads sequence and backbone coordinates together, so a masked CDR can be recovered from either or both modalities.